1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide

C18H21ClN4O — CID 17153115

IUPAC1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-4-1-5-17(14-16)22-12-6-15(7-13-22)18(24)23(10-2-8-20)11-3-9-21/h1,4-5,14-15H,2-3,6-7,10-13H2
InChIKeyJNYNOGJBPBMFHH-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide

1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide (PubChem CID 17153115) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide
PubChem CID17153115
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-4-1-5-17(14-16)22-12-6-15(7-13-22)18(24)23(10-2-8-20)11-3-9-21/h1,4-5,14-15H,2-3,6-7,10-13H2
InChIKeyJNYNOGJBPBMFHH-UHFFFAOYSA-N
XLogP3.21
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-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

3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
N,N-bis(2-cyanoethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55370290
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 8530475
1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 17153110
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
1-(3-chlorophenyl)azonane
CID 145391535
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
1-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19139209
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide (CID 17153115) is 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide is N#CCCN(CCC#N)C(=O)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide?
The InChIKey is JNYNOGJBPBMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-4-1-5-17(14-16)22-12-6-15(7-13-22)18(24)23(10-2-8-20)11-3-9-21/h1,4-5,14-15H,2-3,6-7,10-13H2.
What are the key properties of 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide?
1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-bis(2-cyanoethyl)piperidine-4-carboxamide is sourced from PubChem (CID 17153115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).