4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide

C20H26N4O3S — CID 166180121

IUPAC4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C20H26N4O3S/c25-20(21-17-6-5-7-18(16-17)22-10-1-2-11-22)23-14-8-19(9-15-23)28(26,27)24-12-3-4-13-24/h1-2,5-7,10-11,16,19H,3-4,8-9,12-15H2,(H,21,25)
InChIKeyDYSSGZZJESRXML-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.90
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide

4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 166180121) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
PubChem CID166180121
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCC(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C20H26N4O3S/c25-20(21-17-6-5-7-18(16-17)22-10-1-2-11-22)23-14-8-19(9-15-23)28(26,27)24-12-3-4-13-24/h1-2,5-7,10-11,16,19H,3-4,8-9,12-15H2,(H,21,25)
InChIKeyDYSSGZZJESRXML-UHFFFAOYSA-N
XLogP2.90
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
methyl (3S,4R)-3-methyl-1-[(3-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 100691228
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
2,2-dimethyl-1-oxo-N-(3-pyrrol-1-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 91659534
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide (CID 166180121) is 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)N1CCC(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is DYSSGZZJESRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c25-20(21-17-6-5-7-18(16-17)22-10-1-2-11-22)23-14-8-19(9-15-23)28(26,27)24-12-3-4-13-24/h1-2,5-7,10-11,16,19H,3-4,8-9,12-15H2,(H,21,25).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide?
4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 166180121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).