N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide

C21H29ClN2O2 — CID 24791147

IUPACN-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c1-23(14-16-8-6-7-11-19(16)22)21(26)17-12-13-20(25)24(15-17)18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3
InChIKeyZZYKTQZONXVYLF-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.26
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24791147) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24791147
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c1-23(14-16-8-6-7-11-19(16)22)21(26)17-12-13-20(25)24(15-17)18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3
InChIKeyZZYKTQZONXVYLF-UHFFFAOYSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide (CID 24791147) is N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ZZYKTQZONXVYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-23(14-16-8-6-7-11-19(16)22)21(26)17-12-13-20(25)24(15-17)18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-cycloheptyl-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).