(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

C19H20N4O2S — CID 30863829

IUPAC(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1
InChIInChI=1S/C19H20N4O2S/c1-13-5-2-7-15(11-13)20-19(24)23-9-3-6-14(12-23)17-21-22-18(25-17)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyPEFQHUWWBPLERS-AWEZNQCLSA-N
MW368.46 g/mol
LogP4.52
Rot. Bonds3

About (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 30863829) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
PubChem CID30863829
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1
InChIInChI=1S/C19H20N4O2S/c1-13-5-2-7-15(11-13)20-19(24)23-9-3-6-14(12-23)17-21-22-18(25-17)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyPEFQHUWWBPLERS-AWEZNQCLSA-N
XLogP4.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121069669
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
(3S)-N-ethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 51896006
(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068792
(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 51696702
2-methyl-1-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895985
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
(3-methoxyphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849844
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
1-adamantyl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068791
naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068822
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (CID 30863829) is (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1.
What is the InChIKey of (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PEFQHUWWBPLERS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-5-2-7-15(11-13)20-19(24)23-9-3-6-14(12-23)17-21-22-18(25-17)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 30863829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).