[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone

C154H183N11O11 — CID 158076099

IUPAC[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCC(=O)NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.O=C(c1cc(CO)c2ccccc2c1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccn2)cc1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C24H29NO2.C23H28N2O2.C23H27NO2.C21H24N2O.C21H26N2O.C21H24N2O.C21H25NO2/c1-2-23(26)22-15-19(14-17-8-3-6-12-21(17)22)24(27)18-9-7-13-25(16-18)20-10-4-5-11-20;1-16(26)24-13-21-12-20(11-18-5-2-3-7-22(18)21)23(27)19-6-4-10-25(15-19)14-17-8-9-17;1-2-22(25)21-13-19(12-17-6-3-4-8-20(17)21)23(26)18-7-5-11-24(15-18)14-16-9-10-16;24-21(19-4-3-13-23(15-19)14-16-6-7-16)18-10-8-17(9-11-18)20-5-1-2-12-22-20;22-12-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-23(14-17)13-15-7-8-15;24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17;23-14-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-22(13-17)12-15-7-8-15/h3,6,8,12,14-15,18,20H,2,4-5,7,9-11,13,16H2,1H3;2-3,5,7,11-12,17,19H,4,6,8-10,13-15H2,1H3,(H,24,26);3-4,6,8,12-13,16,18H,2,5,7,9-11,14-15H2,1H3;1-2,5,8-12,16,19H,3-4,6-7,13-15H2;1-2,4,6,10-11,15,17H,3,5,7-9,12-14,22H2;1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2;1-2,4,6,10-11,15,17,23H,3,5,7-9,12-14H2
InChIKeyFMJUNIHIPRLKHL-UHFFFAOYSA-N
MW2364.22 g/mol
LogP29.13
Rot. Bonds37

About [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone

[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone (PubChem CID 158076099) has the molecular formula C154H183N11O11 and a molecular weight of 2364.22 g/mol. Its IUPAC name is [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone
PubChem CID158076099
Molecular FormulaC154H183N11O11
Molecular Weight2364.22 g/mol
Exact Mass2362.41
IUPAC Name[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone
SMILESCC(=O)NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.O=C(c1cc(CO)c2ccccc2c1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccn2)cc1)C1CCCN(CC2CC2)C1
InChIInChI=1S/C24H29NO2.C23H28N2O2.C23H27NO2.C21H24N2O.C21H26N2O.C21H24N2O.C21H25NO2/c1-2-23(26)22-15-19(14-17-8-3-6-12-21(17)22)24(27)18-9-7-13-25(16-18)20-10-4-5-11-20;1-16(26)24-13-21-12-20(11-18-5-2-3-7-22(18)21)23(27)19-6-4-10-25(15-19)14-17-8-9-17;1-2-22(25)21-13-19(12-17-6-3-4-8-20(17)21)23(26)18-7-5-11-24(15-18)14-16-9-10-16;24-21(19-4-3-13-23(15-19)14-16-6-7-16)18-10-8-17(9-11-18)20-5-1-2-12-22-20;22-12-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-23(14-17)13-15-7-8-15;24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17;23-14-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-22(13-17)12-15-7-8-15/h3,6,8,12,14-15,18,20H,2,4-5,7,9-11,13,16H2,1H3;2-3,5,7,11-12,17,19H,4,6,8-10,13-15H2,1H3,(H,24,26);3-4,6,8,12-13,16,18H,2,5,7,9-11,14-15H2,1H3;1-2,5,8-12,16,19H,3-4,6-7,13-15H2;1-2,4,6,10-11,15,17H,3,5,7-9,12-14,22H2;1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2;1-2,4,6,10-11,15,17,23H,3,5,7-9,12-14H2
InChIKeyFMJUNIHIPRLKHL-UHFFFAOYSA-N
XLogP29.13
TPSA277.44 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002364.22
LogP ≤ 529.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(6-cyclopropyl-3-pyridinyl)-3-[2-(hydroxymethyl)-3-[6-[5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-1H-cyclopenta[b]pyridin-4-yl]phenyl]propan-1-one
CID 123270114
2-[2-[2-(5-Carbamimidoyl-2-pyridinyl)acetyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid;6-(cyclopropylmethylcarbamoyl)-3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenyl-5-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid;6-(cyclopropylmethylcarbamoyl)-3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenylphenyl]pyridine-2-carboxylic acid;3-[2-[2-(4-ethanimidoylphenyl)acetyl]-4-ethenylphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 157094575
4-anilino-6-(6-butyl-3-pyridinyl)-N-ethylquinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]-2-cyclopropylethanone;4-anilino-6-(6-butyl-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-(benzylamino)-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158012024
6-(3-carbamoylphenyl)-3-methyl-N-phenylpyrazine-2-carboxamide;6-[2-(hydroxymethyl)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;methane;3-methyl-N-phenyl-6-[3-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-methyl-N-phenyl-6-(4-prop-1-en-2-ylphenyl)pyrazine-2-carboxamide;molecular hydrogen
CID 158112989
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 158468899
(3R,4aR,11bS)-11b-benzyl-3-ethyl-3-hydroxy-6-methyl-9-[2-(2-methyl-3-pyridinyl)acetyl]-2,4,4a,5-tetrahydro-1H-benzo[d][2]benzazepin-7-one;1-[4-[(1S,2R,4R)-1-benzyl-4-ethyl-4-hydroxy-2-(methylaminomethyl)cyclohexyl]-3-(hydroxymethyl)phenyl]-2-(2-methyl-3-pyridinyl)ethanone
CID 158507802
3-benzoyl-5-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide;3-[hydroxy(phenyl)methyl]-5-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 158512709
4-[(1S,2S)-2-(2-isoquinolin-6-ylacetyl)cyclopropyl]benzoic acid;4-[(1S,2S)-2-(2-isoquinolin-6-ylacetyl)cyclopropyl]-N-(pyridin-2-ylmethyl)benzamide;methyl 4-[(1S,2S)-2-(2-isoquinolin-6-ylacetyl)cyclopropyl]benzoate;pyridin-2-ylmethanamine;sulfane
CID 158875409
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 159436883
2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane
CID 159987699
N,N-bis(2-methylpropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;1-(4-methylpiperazin-1-yl)-3-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylpropan-1-one;N-propylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;1-[4-[[4-[2-(5-pyridin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)ethyl]piperidin-1-yl]methyl]phenyl]ethenol;4-[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]butan-2-one;1-[4-[[4-(2-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]phenyl]ethenol;1-[4-[[4-(2-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 160581777
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(4-methylphenyl)phenyl]methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-phenylphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-phenylphenyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone
CID 160982297

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone (CID 158076099) is [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone is CC(=O)NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12.CCC(=O)c1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.O=C(c1cc(CO)c2ccccc2c1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccc2)nc1)C1CCCN(CC2CC2)C1.O=C(c1ccc(-c2ccccn2)cc1)C1CCCN(CC2CC2)C1.
What is the InChIKey of [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone?
The InChIKey is FMJUNIHIPRLKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.C23H28N2O2.C23H27NO2.C21H24N2O.C21H26N2O.C21H24N2O.C21H25NO2/c1-2-23(26)22-15-19(14-17-8-3-6-12-21(17)22)24(27)18-9-7-13-25(16-18)20-10-4-5-11-20;1-16(26)24-13-21-12-20(11-18-5-2-3-7-22(18)21)23(27)19-6-4-10-25(15-19)14-17-8-9-17;1-2-22(25)21-13-19(12-17-6-3-4-8-20(17)21)23(26)18-7-5-11-24(15-18)14-16-9-10-16;24-21(19-4-3-13-23(15-19)14-16-6-7-16)18-10-8-17(9-11-18)20-5-1-2-12-22-20;22-12-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-23(14-17)13-15-7-8-15;24-21(19-7-4-12-23(15-19)14-16-8-9-16)18-10-11-20(22-13-18)17-5-2-1-3-6-17;23-14-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-22(13-17)12-15-7-8-15/h3,6,8,12,14-15,18,20H,2,4-5,7,9-11,13,16H2,1H3;2-3,5,7,11-12,17,19H,4,6,8-10,13-15H2,1H3,(H,24,26);3-4,6,8,12-13,16,18H,2,5,7,9-11,14-15H2,1H3;1-2,5,8-12,16,19H,3-4,6-7,13-15H2;1-2,4,6,10-11,15,17H,3,5,7-9,12-14,22H2;1-3,5-6,10-11,13,16,19H,4,7-9,12,14-15H2;1-2,4,6,10-11,15,17,23H,3,5,7-9,12-14H2.
What are the key properties of [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone?
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone has a molecular weight of 2364.22 g/mol, XLogP of 29.13, 37 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;1-[3-(1-cyclopentylpiperidine-3-carbonyl)naphthalen-1-yl]propan-1-one;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;1-[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]propan-1-one;[1-(cyclopropylmethyl)piperidin-3-yl]-[4-(hydroxymethyl)naphthalen-2-yl]methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-phenyl-3-pyridinyl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(4-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 158076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).