phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone

C16H22N2O3S — CID 75474346

IUPACphenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H22N2O3S/c19-16(14-7-2-1-3-8-14)17-10-6-9-15(13-17)22(20,21)18-11-4-5-12-18/h1-3,7-8,15H,4-6,9-13H2
InChIKeyIBTCHCBPJJUFLN-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.72
Rot. Bonds3

About phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone

phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 75474346) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
PubChem CID75474346
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Namephenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H22N2O3S/c19-16(14-7-2-1-3-8-14)17-10-6-9-15(13-17)22(20,21)18-11-4-5-12-18/h1-3,7-8,15H,4-6,9-13H2
InChIKeyIBTCHCBPJJUFLN-UHFFFAOYSA-N
XLogP1.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone
CID 75476059
1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
CID 75474606
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone (CID 75474346) is phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone is O=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is IBTCHCBPJJUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(14-7-2-1-3-8-14)17-10-6-9-15(13-17)22(20,21)18-11-4-5-12-18/h1-3,7-8,15H,4-6,9-13H2.
What are the key properties of phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone?
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 322.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 75474346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).