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

C14H18ClN3O3 — CID 119279070

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C1COc2cc(NC(=O)C3CCNCC3)ccc2N1
InChIInChI=1S/C14H17N3O3.ClH/c18-13-8-20-12-7-10(1-2-11(12)17-13)16-14(19)9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6,8H2,(H,16,19)(H,17,18);1H
InChIKeyWHSAPQHANZYNTC-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.38
Rot. Bonds2

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

N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119279070) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119279070
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C1COc2cc(NC(=O)C3CCNCC3)ccc2N1
InChIInChI=1S/C14H17N3O3.ClH/c18-13-8-20-12-7-10(1-2-11(12)17-13)16-14(19)9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6,8H2,(H,16,19)(H,17,18);1H
InChIKeyWHSAPQHANZYNTC-UHFFFAOYSA-N
XLogP1.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
CID 119279066
trans-(1R,3R)-2,2-dimethyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95391684
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
N-(4-chlorophenyl)-1-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 126458868
1-(2,4-dimethylphenyl)-5-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-3-carboxamide
CID 46979085
1-(2-cyclopentylethyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893386
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288787
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride (CID 119279070) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride is Cl.O=C1COc2cc(NC(=O)C3CCNCC3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WHSAPQHANZYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c18-13-8-20-12-7-10(1-2-11(12)17-13)16-14(19)9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6,8H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.38, 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-4-carboxamide;hydrochloride is sourced from PubChem (CID 119279070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).