1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C14H21N3O2 — CID 112686446

IUPAC1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-11-14(6-2-1-3-7-14)13(19)16-10-12(18)17-8-4-5-9-17/h1-10H2,(H,16,19)
InChIKeyBHTXEARTCKHIKU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds3

About 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 112686446) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID112686446
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C14H21N3O2/c15-11-14(6-2-1-3-7-14)13(19)16-10-12(18)17-8-4-5-9-17/h1-10H2,(H,16,19)
InChIKeyBHTXEARTCKHIKU-UHFFFAOYSA-N
XLogP1.20
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide 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-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-1-methylcyclohexanecarboxamide
CID 44560268
N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide
CID 1538538
2-(3-Oxo-2-azaspiro[4.5]decan-2-yl)acetamide
CID 23336698
1-cyano-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 75417165
1-cyano-N-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 84592458
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 86785540
N-butan-2-yl-1-[3-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]propyl]cyclohexane-1-carboxamide
CID 143088832
1-[3-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 143088856
1-[3-[[2-[(4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-N-[(2S)-heptan-2-yl]cyclohexane-1-carboxamide
CID 147827957
1-[3-[[2-[(4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-N-[(2R)-octan-2-yl]cyclohexane-1-carboxamide
CID 163650679
1-[3-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-N,N-dimethylcyclohexane-1-carboxamide
CID 164071820
WO2021250648, Example 25
CID 162396392

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 112686446) is 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is BHTXEARTCKHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-14(6-2-1-3-7-14)13(19)16-10-12(18)17-8-4-5-9-17/h1-10H2,(H,16,19).
What are the key properties of 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112686446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).