N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride

C15H20ClN3O3 — CID 119273976

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)C3CCCNC3)cc2NC1=O.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10;/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyZOCQDQIMWYXVPO-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.77
Rot. Bonds2

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119273976) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119273976
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)C3CCCNC3)cc2NC1=O.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10;/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyZOCQDQIMWYXVPO-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
3-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119694609
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119694618
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
1-ethylsulfonyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-4-carboxamide
CID 25483106
1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride (CID 119273976) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride is CC1Oc2ccc(NC(=O)C3CCCNC3)cc2NC1=O.Cl.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZOCQDQIMWYXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10;/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119273976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).