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

C18H26ClN3O3 — CID 119694618

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)CC(C)C3CCCNC3)cc2NC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21-18(23)12(2)24-16;/h5-6,9,11-13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyVFNGAFCWFIDIRX-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.79
Rot. Bonds4

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

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119694618) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119694618
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)CC(C)C3CCCNC3)cc2NC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21-18(23)12(2)24-16;/h5-6,9,11-13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyVFNGAFCWFIDIRX-UHFFFAOYSA-N
XLogP2.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119273976
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119781418
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743870
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119694618) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CC1Oc2ccc(NC(=O)CC(C)C3CCCNC3)cc2NC1=O.Cl.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VFNGAFCWFIDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-11(13-4-3-7-19-10-13)8-17(22)20-14-5-6-16-15(9-14)21-18(23)12(2)24-16;/h5-6,9,11-13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.79, 4 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)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119694618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).