[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C20H25N3O3S — CID 134006754

IUPAC[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c24-20(22-10-4-5-11-22)19-14-18(15-21-19)27(25,26)23-12-8-17(9-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15,17,21H,4-5,8-13H2
InChIKeyIHYLETGFUUYECT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.82
Rot. Bonds4

About [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134006754) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134006754
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c24-20(22-10-4-5-11-22)19-14-18(15-21-19)27(25,26)23-12-8-17(9-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15,17,21H,4-5,8-13H2
InChIKeyIHYLETGFUUYECT-UHFFFAOYSA-N
XLogP2.82
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134043588
(3S)-N-benzyl-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058426
[4-(3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134018876
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724
[(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-3-yl]-(azepan-1-yl)methanone
CID 97044205
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
(3R)-N-[(2-methylphenyl)methyl]-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 97044170
3,4-dihydro-1H-isoquinolin-2-yl-[1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidin-3-yl]methanone
CID 53079172
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 53079210
(3S)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 97044216

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 134006754) is [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IHYLETGFUUYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-10-4-5-11-22)19-14-18(15-21-19)27(25,26)23-12-8-17(9-13-23)16-6-2-1-3-7-16/h1-3,6-7,14-15,17,21H,4-5,8-13H2.
What are the key properties of [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134006754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).