N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride

C14H18ClN3O3 — CID 119312603

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(NC(=O)C3CCNCC3)ccc21
InChIInChI=1S/C14H17N3O3.ClH/c1-17-11-3-2-10(8-12(11)20-14(17)19)16-13(18)9-4-6-15-7-5-9;/h2-3,8-9,15H,4-7H2,1H3,(H,16,18);1H
InChIKeyBDZUSPYJHLHDQL-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.49
Rot. Bonds2

About N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119312603) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119312603
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(NC(=O)C3CCNCC3)ccc21
InChIInChI=1S/C14H17N3O3.ClH/c1-17-11-3-2-10(8-12(11)20-14(17)19)16-13(18)9-4-6-15-7-5-9;/h2-3,8-9,15H,4-7H2,1H3,(H,16,18);1H
InChIKeyBDZUSPYJHLHDQL-UHFFFAOYSA-N
XLogP1.49
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
(3R,4S)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929758
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
3-methyl-6-(pyrrolidin-3-ylmethylamino)-1,3-benzoxazol-2-one
CID 115208617
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
3-methyl-6-(2-pyrrolidin-3-ylethylamino)-1,3-benzoxazol-2-one
CID 115210603
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
6-[hydroxy(piperidin-4-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299129
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
CID 119768162
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride (CID 119312603) is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride is Cl.Cn1c(=O)oc2cc(NC(=O)C3CCNCC3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is BDZUSPYJHLHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-17-11-3-2-10(8-12(11)20-14(17)19)16-13(18)9-4-6-15-7-5-9;/h2-3,8-9,15H,4-7H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride?
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119312603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).