N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119290748

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3CCCCN3)ccc2o1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-2-14-18-12-9-10(6-7-13(12)20-14)17-15(19)11-5-3-4-8-16-11;/h6-7,9,11,16H,2-5,8H2,1H3,(H,17,19);1H
InChIKeyMSSZHQZXTARROF-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.89
Rot. Bonds3

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

N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119290748) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119290748
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3CCCCN3)ccc2o1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-2-14-18-12-9-10(6-7-13(12)20-14)17-15(19)11-5-3-4-8-16-11;/h6-7,9,11,16H,2-5,8H2,1H3,(H,17,19);1H
InChIKeyMSSZHQZXTARROF-UHFFFAOYSA-N
XLogP2.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
CID 119303401
(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119709884
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride (CID 119290748) is N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride is CCc1nc2cc(NC(=O)C3CCCCN3)ccc2o1.Cl.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is MSSZHQZXTARROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-2-14-18-12-9-10(6-7-13(12)20-14)17-15(19)11-5-3-4-8-16-11;/h6-7,9,11,16H,2-5,8H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride?
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119290748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).