(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one

C88H125Cl2N13O15 — CID 167672885

IUPAC(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one
SMILESCC(C)(C)OC(N)=O.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(CC2CC2)CC1.Cc1nc(Cl)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(Cl)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)N1CCC(CC2CC2)CC1.NC1CC1.O=C1CCNCC1
InChIInChI=1S/C22H32N2O3.C18H24N2O4.C16H23N3O.C12H13ClN2O2.C7H6ClNO2.C5H11NO2.C5H9NO.C3H7N/c1-15-19(8-7-18(23-15)14-20(25)27-22(2,3)4)21(26)24-11-9-17(10-12-24)13-16-5-6-16;1-12-15(17(23)20-9-7-14(21)8-10-20)6-5-13(19-12)11-16(22)24-18(2,3)4;1-11-14(4-5-15(17)18-11)16(20)19-8-6-13(7-9-19)10-12-2-3-12;1-8-10(2-3-11(13)14-8)12(17)15-6-4-9(16)5-7-15;1-4-5(7(10)11)2-3-6(8)9-4;1-5(2,3)8-4(6)7;7-5-1-3-6-4-2-5;4-3-1-2-3/h7-8,16-17H,5-6,9-14H2,1-4H3;5-6H,7-11H2,1-4H3;4-5,12-13H,2-3,6-10H2,1H3,(H2,17,18);2-3H,4-7H2,1H3;2-3H,1H3,(H,10,11);1-3H3,(H2,6,7);6H,1-4H2;3H,1-2,4H2
InChIKeyUJRSBKJCVOPUJA-UHFFFAOYSA-N
MW1675.95 g/mol
LogP13.15
Rot. Bonds13

About (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one

(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one (PubChem CID 167672885) has the molecular formula C88H125Cl2N13O15 and a molecular weight of 1675.95 g/mol. Its IUPAC name is (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one.

Molecular Properties

Compound Name(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one
PubChem CID167672885
Molecular FormulaC88H125Cl2N13O15
Molecular Weight1675.95 g/mol
Exact Mass1673.88
IUPAC Name(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one
SMILESCC(C)(C)OC(N)=O.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(CC2CC2)CC1.Cc1nc(Cl)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(Cl)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)N1CCC(CC2CC2)CC1.NC1CC1.O=C1CCNCC1
InChIInChI=1S/C22H32N2O3.C18H24N2O4.C16H23N3O.C12H13ClN2O2.C7H6ClNO2.C5H11NO2.C5H9NO.C3H7N/c1-15-19(8-7-18(23-15)14-20(25)27-22(2,3)4)21(26)24-11-9-17(10-12-24)13-16-5-6-16;1-12-15(17(23)20-9-7-14(21)8-10-20)6-5-13(19-12)11-16(22)24-18(2,3)4;1-11-14(4-5-15(17)18-11)16(20)19-8-6-13(7-9-19)10-12-2-3-12;1-8-10(2-3-11(13)14-8)12(17)15-6-4-9(16)5-7-15;1-4-5(7(10)11)2-3-6(8)9-4;1-5(2,3)8-4(6)7;7-5-1-3-6-4-2-5;4-3-1-2-3/h7-8,16-17H,5-6,9-14H2,1-4H3;5-6H,7-11H2,1-4H3;4-5,12-13H,2-3,6-10H2,1H3,(H2,17,18);2-3H,4-7H2,1H3;2-3H,1H3,(H,10,11);1-3H3,(H2,6,7);6H,1-4H2;3H,1-2,4H2
InChIKeyUJRSBKJCVOPUJA-UHFFFAOYSA-N
XLogP13.15
TPSA403.19 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.95
LogP ≤ 513.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157204656
CID 157204656
Tert-butyl 3-[3-(aminomethyl)-2-pyridinyl]propanoate;tert-butyl 3-[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]propanoate;6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 157847314
sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
CID 158904890
sodium;2-amino-6-chloro-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;2-amino-6-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;methane;methanol;methyl 2-amino-6-chloropyridine-3-carboxylate;hydroxide
CID 160246580
CID 163904369
CID 163904369

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one?
The IUPAC name of (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one (CID 167672885) is (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one.
What is the SMILES notation for (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one?
The canonical SMILES for (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one is CC(C)(C)OC(N)=O.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(CC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(CC2CC2)CC1.Cc1nc(Cl)ccc1C(=O)N1CCC(=O)CC1.Cc1nc(Cl)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)N1CCC(CC2CC2)CC1.NC1CC1.O=C1CCNCC1.
What is the InChIKey of (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one?
The InChIKey is UJRSBKJCVOPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3.C18H24N2O4.C16H23N3O.C12H13ClN2O2.C7H6ClNO2.C5H11NO2.C5H9NO.C3H7N/c1-15-19(8-7-18(23-15)14-20(25)27-22(2,3)4)21(26)24-11-9-17(10-12-24)13-16-5-6-16;1-12-15(17(23)20-9-7-14(21)8-10-20)6-5-13(19-12)11-16(22)24-18(2,3)4;1-11-14(4-5-15(17)18-11)16(20)19-8-6-13(7-9-19)10-12-2-3-12;1-8-10(2-3-11(13)14-8)12(17)15-6-4-9(16)5-7-15;1-4-5(7(10)11)2-3-6(8)9-4;1-5(2,3)8-4(6)7;7-5-1-3-6-4-2-5;4-3-1-2-3/h7-8,16-17H,5-6,9-14H2,1-4H3;5-6H,7-11H2,1-4H3;4-5,12-13H,2-3,6-10H2,1H3,(H2,17,18);2-3H,4-7H2,1H3;2-3H,1H3,(H,10,11);1-3H3,(H2,6,7);6H,1-4H2;3H,1-2,4H2.
What are the key properties of (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one?
(6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one has a molecular weight of 1675.95 g/mol, XLogP of 13.15, 13 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methyl-3-pyridinyl)-[4-(cyclopropylmethyl)piperidin-1-yl]methanone;tert-butyl carbamate;tert-butyl 2-[5-[4-(cyclopropylmethyl)piperidine-1-carbonyl]-6-methyl-2-pyridinyl]acetate;tert-butyl 2-[6-methyl-5-(4-oxopiperidine-1-carbonyl)-2-pyridinyl]acetate;1-(6-chloro-2-methylpyridine-3-carbonyl)piperidin-4-one;6-chloro-2-methylpyridine-3-carboxylic acid;cyclopropanamine;piperidin-4-one is sourced from PubChem (CID 167672885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).