(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide

C13H16N4O2 — CID 126829213

IUPAC(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc3nonc23)CCN1
InChIInChI=1S/C13H16N4O2/c1-8-7-9(5-6-14-8)13(18)15-10-3-2-4-11-12(10)17-19-16-11/h2-4,8-9,14H,5-7H2,1H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyUDUMLZCBACDBEL-IUCAKERBSA-N
MW260.30 g/mol
LogP1.55
Rot. Bonds2

About (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 126829213) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide
PubChem CID126829213
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc3nonc23)CCN1
InChIInChI=1S/C13H16N4O2/c1-8-7-9(5-6-14-8)13(18)15-10-3-2-4-11-12(10)17-19-16-11/h2-4,8-9,14H,5-7H2,1H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyUDUMLZCBACDBEL-IUCAKERBSA-N
XLogP1.55
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
N-(2,1,3-benzoxadiazol-4-yl)acetamide
CID 585399
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
2-methyl-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 106739982
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633562

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide (CID 126829213) is (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc3nonc23)CCN1.
What is the InChIKey of (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is UDUMLZCBACDBEL-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-7-9(5-6-14-8)13(18)15-10-3-2-4-11-12(10)17-19-16-11/h2-4,8-9,14H,5-7H2,1H3,(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126829213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).