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

C21H29ClN2O2 — CID 24790714

IUPACN-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-10-6-5-7-16(19)13-14-23-21(26)17-11-12-20(25)24(15-17)18-8-3-1-2-4-9-18/h5-7,10,17-18H,1-4,8-9,11-15H2,(H,23,26)
InChIKeyTZGNIHDQNZFLOC-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.96
Rot. Bonds5

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

N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (PubChem CID 24790714) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
PubChem CID24790714
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-10-6-5-7-16(19)13-14-23-21(26)17-11-12-20(25)24(15-17)18-8-3-1-2-4-9-18/h5-7,10,17-18H,1-4,8-9,11-15H2,(H,23,26)
InChIKeyTZGNIHDQNZFLOC-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
2,2-Bis-(2-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10048481
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 15995005
3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 18931828
N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24790429
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
CID 24791565
N-(4-chlorobenzyl)-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24792074
1-cycloheptyl-N-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24792968
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide (CID 24790714) is N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is O=C(NCCc1ccccc1Cl)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
The InChIKey is TZGNIHDQNZFLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-19-10-6-5-7-16(19)13-14-23-21(26)17-11-12-20(25)24(15-17)18-8-3-1-2-4-9-18/h5-7,10,17-18H,1-4,8-9,11-15H2,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-cycloheptyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).