N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride

C15H20ClN3O3 — CID 120574861

IUPACN-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-9-11(3-2-6-16-9)18-15(20)10-4-5-13-12(7-10)17-14(19)8-21-13;/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyWGSAJFQJOWGJFT-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.31
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride (PubChem CID 120574861) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
PubChem CID120574861
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-9-11(3-2-6-16-9)18-15(20)10-4-5-13-12(7-10)17-14(19)8-21-13;/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyWGSAJFQJOWGJFT-UHFFFAOYSA-N
XLogP1.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 120574862
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 104927714
N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 115881758
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 114631273
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94480381

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride (CID 120574861) is N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc2c(c1)NC(=O)CO2.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The InChIKey is WGSAJFQJOWGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-9-11(3-2-6-16-9)18-15(20)10-4-5-13-12(7-10)17-14(19)8-21-13;/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120574861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).