3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide

C16H21N3O3 — CID 119389632

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NC1CCNCC1
InChIInChI=1S/C16H21N3O3/c20-15(18-12-5-8-17-9-6-12)7-10-19-13-3-1-2-4-14(13)22-11-16(19)21/h1-4,12,17H,5-11H2,(H,18,20)
InChIKeyNYIYORDRCORHSB-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.67
Rot. Bonds4

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide (PubChem CID 119389632) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
PubChem CID119389632
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NC1CCNCC1
InChIInChI=1S/C16H21N3O3/c20-15(18-12-5-8-17-9-6-12)7-10-19-13-3-1-2-4-14(13)22-11-16(19)21/h1-4,12,17H,5-11H2,(H,18,20)
InChIKeyNYIYORDRCORHSB-UHFFFAOYSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26011956
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9463774
N-[(1S,2R)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 6938468
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 4200810
N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
CID 55575029
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737421
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide (CID 119389632) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide is O=C(CCN1C(=O)COc2ccccc21)NC1CCNCC1.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide?
The InChIKey is NYIYORDRCORHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(18-12-5-8-17-9-6-12)7-10-19-13-3-1-2-4-14(13)22-11-16(19)21/h1-4,12,17H,5-11H2,(H,18,20).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119389632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).