N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide

C19H25ClN2O2 — CID 135106919

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
SMILESCN(C(=O)CCCc1ccc(Cl)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C19H25ClN2O2/c1-22(17-9-14-11-18(23)21-12-15(14)10-17)19(24)4-2-3-13-5-7-16(20)8-6-13/h5-8,14-15,17H,2-4,9-12H2,1H3,(H,21,23)/t14-,15+,17-/m1/s1
InChIKeyNLPYRLDSUMKKGL-HLLBOEOZSA-N
MW348.87 g/mol
LogP3.04
Rot. Bonds5

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide (PubChem CID 135106919) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
PubChem CID135106919
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
SMILESCN(C(=O)CCCc1ccc(Cl)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C19H25ClN2O2/c1-22(17-9-14-11-18(23)21-12-15(14)10-17)19(24)4-2-3-13-5-7-16(20)8-6-13/h5-8,14-15,17H,2-4,9-12H2,1H3,(H,21,23)/t14-,15+,17-/m1/s1
InChIKeyNLPYRLDSUMKKGL-HLLBOEOZSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide 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

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 135090394
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
CID 163306021
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 135109820
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-fluoro-3-hydroxy-N-methylbenzamide
CID 135099417
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 135112274
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
CID 135100334
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-5-phenylpentanamide
CID 164696529
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 135099867
2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-(2-phenylethyl)acetamide
CID 135102952
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
CID 135113679
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide (CID 135106919) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide is CN(C(=O)CCCc1ccc(Cl)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide?
The InChIKey is NLPYRLDSUMKKGL-HLLBOEOZSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-22(17-9-14-11-18(23)21-12-15(14)10-17)19(24)4-2-3-13-5-7-16(20)8-6-13/h5-8,14-15,17H,2-4,9-12H2,1H3,(H,21,23)/t14-,15+,17-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide has a molecular weight of 348.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide is sourced from PubChem (CID 135106919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).