(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone

C18H26N2O3S — CID 134003501

IUPAC(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O3S/c1-24(22,23)20-11-5-8-17(14-20)18(21)19-12-9-16(10-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyBKCFXNPZGWBOLI-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.06
Rot. Bonds3

About (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone

(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134003501) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID134003501
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H26N2O3S/c1-24(22,23)20-11-5-8-17(14-20)18(21)19-12-9-16(10-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyBKCFXNPZGWBOLI-UHFFFAOYSA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 717229
[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-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414
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-benzylpiperazin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3239392
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176
4-Benzyl-1-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperidine
CID 3245774

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone (CID 134003501) is (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone is CS(=O)(=O)N1CCCC(C(=O)N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is BKCFXNPZGWBOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-24(22,23)20-11-5-8-17(14-20)18(21)19-12-9-16(10-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone?
(1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-3-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134003501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).