(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide

C16H18N4O3 — CID 99802633

IUPAC(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(=O)[C@H](C)C3)c2)no1
InChIInChI=1S/C16H18N4O3/c1-10-9-20(7-6-14(10)21)16(22)18-13-5-3-4-12(8-13)15-17-11(2)23-19-15/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)/t10-/m1/s1
InChIKeyGTQJEKLESHVRGA-SNVBAGLBSA-N
MW314.35 g/mol
LogP2.49
Rot. Bonds2

About (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide

(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide (PubChem CID 99802633) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide
PubChem CID99802633
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(=O)[C@H](C)C3)c2)no1
InChIInChI=1S/C16H18N4O3/c1-10-9-20(7-6-14(10)21)16(22)18-13-5-3-4-12(8-13)15-17-11(2)23-19-15/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)/t10-/m1/s1
InChIKeyGTQJEKLESHVRGA-SNVBAGLBSA-N
XLogP2.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 111424867
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71915921
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50777725
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
1-(2,4-dimethylphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361374

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide (CID 99802633) is (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCC(=O)[C@H](C)C3)c2)no1.
What is the InChIKey of (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide?
The InChIKey is GTQJEKLESHVRGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-9-20(7-6-14(10)21)16(22)18-13-5-3-4-12(8-13)15-17-11(2)23-19-15/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide?
(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 99802633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).