3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one

C19H27NO3S — CID 71941305

IUPAC3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27NO3S/c21-19(12-15-24(22,23)18-8-4-5-9-18)20-13-10-17(11-14-20)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyQKCHZQQCQAXOSC-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.14
Rot. Bonds5

About 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one

3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 71941305) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
PubChem CID71941305
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27NO3S/c21-19(12-15-24(22,23)18-8-4-5-9-18)20-13-10-17(11-14-20)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2
InChIKeyQKCHZQQCQAXOSC-UHFFFAOYSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfonyl-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 56829348
1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119412753
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
3-cyclohexylsulfonyl-1-phenylpropan-1-one
CID 116694882
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
CID 55947771
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 104569524
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one (CID 71941305) is 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one is O=C(CCS(=O)(=O)C1CCCC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is QKCHZQQCQAXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c21-19(12-15-24(22,23)18-8-4-5-9-18)20-13-10-17(11-14-20)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2.
What are the key properties of 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one?
3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 349.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).