[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone

C104H108N12O12 — CID 159152360

IUPAC[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone
SMILESCCc1cc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)ccn1.NCC1(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)CC1.Nc1ccc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)cn1.O=C(c1c[nH]n2ccnc12)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C(O)C1
InChIInChI=1S/C23H24N2O2.C22H21NO2.C21H20N4O2.C21H21N3O2.C17H22N2O4/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18;24-21-15-23(22(25)17-7-2-1-3-8-17)13-12-20(21)19-11-10-16-6-4-5-9-18(16)14-19;26-19-13-24(21(27)18-12-23-25-10-8-22-20(18)25)9-7-17(19)16-6-5-14-3-1-2-4-15(14)11-16;22-20-8-7-17(12-23-20)21(26)24-10-9-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16;18-9-17(4-5-17)16(21)19-6-3-12(13(20)8-19)11-1-2-14-15(7-11)23-10-22-14/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3;1-11,14,20-21,24H,12-13,15H2;1-6,8,10-12,17,19,23,26H,7,9,13H2;1-8,11-12,18-19,25H,9-10,13H2,(H2,22,23);1-2,7,12-13,20H,3-6,8-10,18H2
InChIKeyHHYAAVOPYCIRIW-UHFFFAOYSA-N
MW1718.08 g/mol
LogP14.06
Rot. Bonds12

About [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone

[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone (PubChem CID 159152360) has the molecular formula C104H108N12O12 and a molecular weight of 1718.08 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone
PubChem CID159152360
Molecular FormulaC104H108N12O12
Molecular Weight1718.08 g/mol
Exact Mass1716.82
IUPAC Name[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone
SMILESCCc1cc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)ccn1.NCC1(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)CC1.Nc1ccc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)cn1.O=C(c1c[nH]n2ccnc12)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C(O)C1
InChIInChI=1S/C23H24N2O2.C22H21NO2.C21H20N4O2.C21H21N3O2.C17H22N2O4/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18;24-21-15-23(22(25)17-7-2-1-3-8-17)13-12-20(21)19-11-10-16-6-4-5-9-18(16)14-19;26-19-13-24(21(27)18-12-23-25-10-8-22-20(18)25)9-7-17(19)16-6-5-14-3-1-2-4-15(14)11-16;22-20-8-7-17(12-23-20)21(26)24-10-9-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16;18-9-17(4-5-17)16(21)19-6-3-12(13(20)8-19)11-1-2-14-15(7-11)23-10-22-14/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3;1-11,14,20-21,24H,12-13,15H2;1-6,8,10-12,17,19,23,26H,7,9,13H2;1-8,11-12,18-19,25H,9-10,13H2,(H2,22,23);1-2,7,12-13,20H,3-6,8-10,18H2
InChIKeyHHYAAVOPYCIRIW-UHFFFAOYSA-N
XLogP14.06
TPSA332.07 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.08
LogP ≤ 514.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone with MolForge

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Related Compounds

6-[2-[3-(1,3-benzodioxol-5-yl)propyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-cyclohexylpropyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol;2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-isoindol-1-one;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-naphthalen-1-ylethanamine;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-naphthalen-1-ylmethanamine
CID 157441348
[4-(1,3-Benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-fluorophenyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(4-fluorophenyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 157578259
[4-(1,3-Benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 162258490

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone (CID 159152360) is [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone is CCc1cc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)ccn1.NCC1(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)CC1.Nc1ccc(C(=O)N2CCC(c3ccc4ccccc4c3)C(O)C2)cn1.O=C(c1c[nH]n2ccnc12)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1ccccc1)N1CCC(c2ccc3ccccc3c2)C(O)C1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone?
The InChIKey is HHYAAVOPYCIRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2.C22H21NO2.C21H20N4O2.C21H21N3O2.C17H22N2O4/c1-2-20-14-19(9-11-24-20)23(27)25-12-10-21(22(26)15-25)18-8-7-16-5-3-4-6-17(16)13-18;24-21-15-23(22(25)17-7-2-1-3-8-17)13-12-20(21)19-11-10-16-6-4-5-9-18(16)14-19;26-19-13-24(21(27)18-12-23-25-10-8-22-20(18)25)9-7-17(19)16-6-5-14-3-1-2-4-15(14)11-16;22-20-8-7-17(12-23-20)21(26)24-10-9-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16;18-9-17(4-5-17)16(21)19-6-3-12(13(20)8-19)11-1-2-14-15(7-11)23-10-22-14/h3-9,11,13-14,21-22,26H,2,10,12,15H2,1H3;1-11,14,20-21,24H,12-13,15H2;1-6,8,10-12,17,19,23,26H,7,9,13H2;1-8,11-12,18-19,25H,9-10,13H2,(H2,22,23);1-2,7,12-13,20H,3-6,8-10,18H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone?
[1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone has a molecular weight of 1718.08 g/mol, XLogP of 14.06, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;(6-amino-3-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(2-ethyl-4-pyridinyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 159152360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).