N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H26ClN3O3 — CID 119781418

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C1CCCNC1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-12(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21(2)18(23)11-24-16;/h5-6,9,12-13,19H,3-4,7-8,10-11H2,1-2H3,(H,20,22);1H
InChIKeyGPCGULQDCWBOEQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.43
Rot. Bonds4

About N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119781418) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119781418
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C1CCCNC1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-12(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21(2)18(23)11-24-16;/h5-6,9,12-13,19H,3-4,7-8,10-11H2,1-2H3,(H,20,22);1H
InChIKeyGPCGULQDCWBOEQ-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119694618
N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743870
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119800553
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119798751
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119891270
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119781418) is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)C1CCCNC1.Cl.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GPCGULQDCWBOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-12(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21(2)18(23)11-24-16;/h5-6,9,12-13,19H,3-4,7-8,10-11H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119781418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).