(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone

C18H26N2O3S — CID 3242176

IUPAC(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(19-11-5-2-6-12-19)17-10-7-13-20(14-17)24(22,23)15-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyKLMPYPTZCHNFBZ-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.24
Rot. Bonds4

About (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone

(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone (PubChem CID 3242176) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone
PubChem CID3242176
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O3S/c21-18(19-11-5-2-6-12-19)17-10-7-13-20(14-17)24(22,23)15-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKeyKLMPYPTZCHNFBZ-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
4-[(3R)-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365407
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
(4-Benzylpiperidin-1-yl)[1-(methylsulfonyl)piperidin-4-yl]methanone
CID 1082618
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
2-{[1-(Methylsulfonyl)piperidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3237153
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3237443
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
1-[(4-methylphenyl)sulfonyl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3240900

Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone (CID 3242176) is (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone is O=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCCCC1.
What is the InChIKey of (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone?
The InChIKey is KLMPYPTZCHNFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(19-11-5-2-6-12-19)17-10-7-13-20(14-17)24(22,23)15-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2.
What are the key properties of (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone?
(1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone has a molecular weight of 350.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfonylpiperidin-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 3242176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).