N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

C24H28ClN3O2 — CID 159807518

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C24H28ClN3O2/c1-26(24(30)22-16-27(2)23(29)21-5-3-4-20(21)22)14-18-10-12-28(13-11-18)15-17-6-8-19(25)9-7-17/h3-4,6-9,16,18H,5,10-15H2,1-2H3
InChIKeyHMJYFUCTDWMMFX-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.59
Rot. Bonds5

About N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 159807518) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID159807518
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C24H28ClN3O2/c1-26(24(30)22-16-27(2)23(29)21-5-3-4-20(21)22)14-18-10-12-28(13-11-18)15-17-6-8-19(25)9-7-17/h3-4,6-9,16,18H,5,10-15H2,1-2H3
InChIKeyHMJYFUCTDWMMFX-UHFFFAOYSA-N
XLogP3.59
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 158801691
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 72869126
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-cyano-N-methylbenzamide
CID 72924461
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 25454045
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
2-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (CID 159807518) is N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is CN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is HMJYFUCTDWMMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-26(24(30)22-16-27(2)23(29)21-5-3-4-20(21)22)14-18-10-12-28(13-11-18)15-17-6-8-19(25)9-7-17/h3-4,6-9,16,18H,5,10-15H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 159807518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).