4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide

C15H18N4O4S — CID 9189319

IUPAC4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESCS(=O)(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O4S/c1-24(21,22)15-18-17-13(23-15)11-7-9-19(10-8-11)14(20)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20)
InChIKeyIFIAFOBMGWREBH-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.88
Rot. Bonds3

About 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide

4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 9189319) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID9189319
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESCS(=O)(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C15H18N4O4S/c1-24(21,22)15-18-17-13(23-15)11-7-9-19(10-8-11)14(20)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20)
InChIKeyIFIAFOBMGWREBH-UHFFFAOYSA-N
XLogP1.88
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-6-fluorophenyl)-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 9189272
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 59594508
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-phenyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 138051875
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
CID 9188252
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide (CID 9189319) is 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide is CS(=O)(=O)c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is IFIAFOBMGWREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-24(21,22)15-18-17-13(23-15)11-7-9-19(10-8-11)14(20)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,20).
What are the key properties of 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide?
4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 9189319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).