N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide

C11H11N3O2S — CID 112729096

IUPACN-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H11N3O2S/c12-5-7-3-4-17-11(7)14-10(16)8-1-2-9(15)13-6-8/h3-4,8H,1-2,6H2,(H,13,15)(H,14,16)
InChIKeyAQFAXRGRBQQZRT-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.08
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide

N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 112729096) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID112729096
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H11N3O2S/c12-5-7-3-4-17-11(7)14-10(16)8-1-2-9(15)13-6-8/h3-4,8H,1-2,6H2,(H,13,15)(H,14,16)
InChIKeyAQFAXRGRBQQZRT-UHFFFAOYSA-N
XLogP1.08
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-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

ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112729095
trans-(1S,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623425
cis-(1S,2R)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623421
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-(3-cyanothiophen-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51072876
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
2-[(6-oxopiperidine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 83192324

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide (CID 112729096) is N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide is N#Cc1ccsc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is AQFAXRGRBQQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-5-7-3-4-17-11(7)14-10(16)8-1-2-9(15)13-6-8/h3-4,8H,1-2,6H2,(H,13,15)(H,14,16).
What are the key properties of N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide?
N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112729096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).