(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride

C13H16ClN3O3 — CID 119709884

IUPAC(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15N3O3.ClH/c17-12(9-3-1-2-6-14-9)15-8-4-5-11-10(7-8)16-13(18)19-11;/h4-5,7,9,14H,1-3,6H2,(H,15,17)(H,16,18);1H/t9-;/m0./s1
InChIKeyKICWHPONHOZZDY-FVGYRXGTSA-N
MW297.74 g/mol
LogP1.62
Rot. Bonds2

About (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119709884) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119709884
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15N3O3.ClH/c17-12(9-3-1-2-6-14-9)15-8-4-5-11-10(7-8)16-13(18)19-11;/h4-5,7,9,14H,1-3,6H2,(H,15,17)(H,16,18);1H/t9-;/m0./s1
InChIKeyKICWHPONHOZZDY-FVGYRXGTSA-N
XLogP1.62
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)phenyl]piperidine-2-carboxamide
CID 144891688
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119709874
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
(2S)-N-(1H-indol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119702704
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride (CID 119709884) is (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is KICWHPONHOZZDY-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c17-12(9-3-1-2-6-14-9)15-8-4-5-11-10(7-8)16-13(18)19-11;/h4-5,7,9,14H,1-3,6H2,(H,15,17)(H,16,18);1H/t9-;/m0./s1.
What are the key properties of (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119709884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).