N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

C16H22ClN3O3 — CID 119444581

IUPACN,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCC1Oc2c(cccc2C(=O)N(C)C2CCNCC2)NC1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-10-15(20)18-13-5-3-4-12(14(13)22-10)16(21)19(2)11-6-8-17-9-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,20);1H
InChIKeyQCBCSTXQFPVOMN-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.65
Rot. Bonds2

About N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 119444581) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID119444581
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCC1Oc2c(cccc2C(=O)N(C)C2CCNCC2)NC1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-10-15(20)18-13-5-3-4-12(14(13)22-10)16(21)19(2)11-6-8-17-9-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,20);1H
InChIKeyQCBCSTXQFPVOMN-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
CID 119135794
2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 126780878
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 97022556
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2-[benzyl-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]acetic acid
CID 125149154
(2S)-8-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 129470978
N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119997128
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
2-methyl-5-[[methyl-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125132596
8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 71874564
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 119444581) is N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is CC1Oc2c(cccc2C(=O)N(C)C2CCNCC2)NC1=O.Cl.
What is the InChIKey of N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is QCBCSTXQFPVOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-10-15(20)18-13-5-3-4-12(14(13)22-10)16(21)19(2)11-6-8-17-9-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,20);1H.
What are the key properties of N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-oxo-N-piperidin-4-yl-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 119444581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).