[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone

C30H32N2O4S — CID 75989747

IUPAC[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C30H32N2O4S/c33-29(24-12-6-2-7-13-24)25-18-20-31(21-19-25)30(34)26-16-17-28(23-10-4-1-5-11-23)32(22-26)37(35,36)27-14-8-3-9-15-27/h1-15,25-26,28H,16-22H2
InChIKeyQMXNBIXURRUYMP-UHFFFAOYSA-N
MW516.66 g/mol
LogP4.95
Rot. Bonds6

About [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 75989747) has the molecular formula C30H32N2O4S and a molecular weight of 516.66 g/mol. Its IUPAC name is [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID75989747
Molecular FormulaC30H32N2O4S
Molecular Weight516.66 g/mol
Exact Mass516.21
IUPAC Name[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C30H32N2O4S/c33-29(24-12-6-2-7-13-24)25-18-20-31(21-19-25)30(34)26-16-17-28(23-10-4-1-5-11-23)32(22-26)37(35,36)27-14-8-3-9-15-27/h1-15,25-26,28H,16-22H2
InChIKeyQMXNBIXURRUYMP-UHFFFAOYSA-N
XLogP4.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-azabicyclo[3.1.0]hexan-3-yl-[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 75989180
[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 67254189
prop-2-enyl N-[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]carbamate
CID 67247758
[1-(benzenesulfonyl)-6-phenylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 75989665
tert-butyl 4-[(3R,6R)-1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]-3,3-dimethylpiperazine-1-carboxylate
CID 53247130
(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 53245887
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)-6-phenyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 67246978
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204

Frequently Asked Questions

What is the IUPAC name of [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone (CID 75989747) is [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1.
What is the InChIKey of [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is QMXNBIXURRUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4S/c33-29(24-12-6-2-7-13-24)25-18-20-31(21-19-25)30(34)26-16-17-28(23-10-4-1-5-11-23)32(22-26)37(35,36)27-14-8-3-9-15-27/h1-15,25-26,28H,16-22H2.
What are the key properties of [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 516.66 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 75989747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).