1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide

C18H26N2O3S — CID 55962295

IUPAC1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-14-24(22,23)20-12-8-16(9-13-20)19-17(21)18(10-11-18)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,19,21)
InChIKeyIKVXOYTUWBVHQO-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.04
Rot. Bonds6

About 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide

1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 55962295) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID55962295
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-14-24(22,23)20-12-8-16(9-13-20)19-17(21)18(10-11-18)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,19,21)
InChIKeyIKVXOYTUWBVHQO-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
1-ethylsulfonyl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 78844325
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 55962295) is 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is IKVXOYTUWBVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-14-24(22,23)20-12-8-16(9-13-20)19-17(21)18(10-11-18)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,19,21).
What are the key properties of 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55962295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).