N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide

C21H21N3O2S — CID 24624840

IUPACN-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C21H21N3O2S/c25-20(22-17-8-2-1-3-9-17)16-7-6-13-24(15-16)21(26)19-18(10-14-27-19)23-11-4-5-12-23/h1-5,8-12,14,16H,6-7,13,15H2,(H,22,25)
InChIKeyMAJSIIWWVWDNTA-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.03
Rot. Bonds4

About N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide

N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 24624840) has the molecular formula C21H21N3O2S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID24624840
Molecular FormulaC21H21N3O2S
Molecular Weight379.48 g/mol
Exact Mass379.14
IUPAC NameN-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2sccc2-n2cccc2)C1
InChIInChI=1S/C21H21N3O2S/c25-20(22-17-8-2-1-3-9-17)16-7-6-13-24(15-16)21(26)19-18(10-14-27-19)23-11-4-5-12-23/h1-5,8-12,14,16H,6-7,13,15H2,(H,22,25)
InChIKeyMAJSIIWWVWDNTA-UHFFFAOYSA-N
XLogP4.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-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

[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 6620143
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 34324943

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide (CID 24624840) is N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2sccc2-n2cccc2)C1.
What is the InChIKey of N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is MAJSIIWWVWDNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(22-17-8-2-1-3-9-17)16-7-6-13-24(15-16)21(26)19-18(10-14-27-19)23-11-4-5-12-23/h1-5,8-12,14,16H,6-7,13,15H2,(H,22,25).
What are the key properties of N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide?
N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24624840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).