(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide

C15H19N3O2 — CID 120631938

IUPAC(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
SMILESCc1nc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc2o1
InChIInChI=1S/C15H19N3O2/c1-9-7-11(5-6-16-9)15(19)18-12-3-4-14-13(8-12)17-10(2)20-14/h3-4,8-9,11,16H,5-7H2,1-2H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyIGBRYRKTPOMOHV-ONGXEEELSA-N
MW273.34 g/mol
LogP2.46
Rot. Bonds2

About (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide (PubChem CID 120631938) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
PubChem CID120631938
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
SMILESCc1nc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc2o1
InChIInChI=1S/C15H19N3O2/c1-9-7-11(5-6-16-9)15(19)18-12-3-4-14-13(8-12)17-10(2)20-14/h3-4,8-9,11,16H,5-7H2,1-2H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyIGBRYRKTPOMOHV-ONGXEEELSA-N
XLogP2.46
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
CID 119833735
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
CID 75448517
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide (CID 120631938) is (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide is Cc1nc2cc(NC(=O)[C@H]3CCN[C@@H](C)C3)ccc2o1.
What is the InChIKey of (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
The InChIKey is IGBRYRKTPOMOHV-ONGXEEELSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-11(5-6-16-9)15(19)18-12-3-4-14-13(8-12)17-10(2)20-14/h3-4,8-9,11,16H,5-7H2,1-2H3,(H,18,19)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120631938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).