1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

C15H17ClN4O2 — CID 2514707

IUPAC1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c16-13-7-12(2-1-11(13)8-17)19-14(21)9-20-5-3-10(4-6-20)15(18)22/h1-2,7,10H,3-6,9H2,(H2,18,22)(H,19,21)
InChIKeyCGQNVVYRQRABRU-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2514707) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2514707
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c16-13-7-12(2-1-11(13)8-17)19-14(21)9-20-5-3-10(4-6-20)15(18)22/h1-2,7,10H,3-6,9H2,(H2,18,22)(H,19,21)
InChIKeyCGQNVVYRQRABRU-UHFFFAOYSA-N
XLogP1.35
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]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

N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
ethyl (3S)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8014435
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
CID 136562069
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 2514707) is 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is N#Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is CGQNVVYRQRABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-13-7-12(2-1-11(13)8-17)19-14(21)9-20-5-3-10(4-6-20)15(18)22/h1-2,7,10H,3-6,9H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).