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

C24H35N3O2 — CID 158801691

IUPACN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(CC1CCN(CC2CCCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C24H35N3O2/c1-25(24(29)22-17-26(2)23(28)21-10-6-9-20(21)22)15-19-11-13-27(14-12-19)16-18-7-4-3-5-8-18/h6,9,17-19H,3-5,7-8,10-16H2,1-2H3
InChIKeyZAMIXCLBICZARF-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.32
Rot. Bonds5

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

N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 158801691) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID158801691
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCN(CC1CCN(CC2CCCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2
InChIInChI=1S/C24H35N3O2/c1-25(24(29)22-17-26(2)23(28)21-10-6-9-20(21)22)15-19-11-13-27(14-12-19)16-18-7-4-3-5-8-18/h6,9,17-19H,3-5,7-8,10-16H2,1-2H3
InChIKeyZAMIXCLBICZARF-UHFFFAOYSA-N
XLogP3.32
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (CID 158801691) is N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is CN(CC1CCN(CC2CCCCC2)CC1)C(=O)c1cn(C)c(=O)c2c1C=CC2.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is ZAMIXCLBICZARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-25(24(29)22-17-26(2)23(28)21-10-6-9-20(21)22)15-19-11-13-27(14-12-19)16-18-7-4-3-5-8-18/h6,9,17-19H,3-5,7-8,10-16H2,1-2H3.
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-N,2-dimethyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 158801691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).