N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide

C15H18ClN3O3 — CID 119944512

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCCNC1
InChIInChI=1S/C15H18ClN3O3/c1-15(3-2-4-17-8-15)14(21)19-10-6-12-11(5-9(10)16)18-13(20)7-22-12/h5-6,17H,2-4,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyPCJYFFRTLSBYRG-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.00
Rot. Bonds2

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide (PubChem CID 119944512) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
PubChem CID119944512
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCCNC1
InChIInChI=1S/C15H18ClN3O3/c1-15(3-2-4-17-8-15)14(21)19-10-6-12-11(5-9(10)16)18-13(20)7-22-12/h5-6,17H,2-4,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyPCJYFFRTLSBYRG-UHFFFAOYSA-N
XLogP2.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide 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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944066
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-2-carboxamide
CID 61179096
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
(E)-4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-4-oxobut-2-enoic acid
CID 60941243
(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide (CID 119944512) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)CCCNC1.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide?
The InChIKey is PCJYFFRTLSBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-15(3-2-4-17-8-15)14(21)19-10-6-12-11(5-9(10)16)18-13(20)7-22-12/h5-6,17H,2-4,7-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119944512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).