N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide

C14H17N3O3 — CID 119279066

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
SMILESO=C1COc2cc(NC(=O)C3CCCCN3)ccc2N1
InChIInChI=1S/C14H17N3O3/c18-13-8-20-12-7-9(4-5-10(12)17-13)16-14(19)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyWGAJLRPYXGPYDL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.10
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide (PubChem CID 119279066) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
PubChem CID119279066
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
SMILESO=C1COc2cc(NC(=O)C3CCCCN3)ccc2N1
InChIInChI=1S/C14H17N3O3/c18-13-8-20-12-7-9(4-5-10(12)17-13)16-14(19)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyWGAJLRPYXGPYDL-UHFFFAOYSA-N
XLogP1.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
(2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-2-carboxamide
CID 61179096
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
trans-(1R,3R)-2,2-dimethyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95391684
1-(2-cyclopentylethyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893386
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide (CID 119279066) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide is O=C1COc2cc(NC(=O)C3CCCCN3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide?
The InChIKey is WGAJLRPYXGPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-8-20-12-7-9(4-5-10(12)17-13)16-14(19)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide is sourced from PubChem (CID 119279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).