6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

C18H23N3O4 — CID 119316472

IUPAC6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)N)CC3)cc2NC1=O
InChIInChI=1S/C18H23N3O4/c1-10(19)18(24)21-7-5-12(6-8-21)16(22)13-3-4-15-14(9-13)20-17(23)11(2)25-15/h3-4,9-12H,5-8,19H2,1-2H3,(H,20,23)/t10-,11?/m1/s1
InChIKeyFHOQJLJVJKCJFT-NFJWQWPMSA-N
MW345.40 g/mol
LogP1.17
Rot. Bonds3

About 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 119316472) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID119316472
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)N)CC3)cc2NC1=O
InChIInChI=1S/C18H23N3O4/c1-10(19)18(24)21-7-5-12(6-8-21)16(22)13-3-4-15-14(9-13)20-17(23)11(2)25-15/h3-4,9-12H,5-8,19H2,1-2H3,(H,20,23)/t10-,11?/m1/s1
InChIKeyFHOQJLJVJKCJFT-NFJWQWPMSA-N
XLogP1.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[1-(3-aminocyclohexanecarbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119771370
6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154806885
4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
CID 166186885
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
6-[1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154862512
2-[4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133361121
6-(1-acetylpiperidine-4-carbonyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 110220429
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
(2S)-6-[[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 25329669
2-methyl-6-(oxane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 62213155
2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 79759663

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (CID 119316472) is 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)N)CC3)cc2NC1=O.
What is the InChIKey of 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is FHOQJLJVJKCJFT-NFJWQWPMSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-10(19)18(24)21-7-5-12(6-8-21)16(22)13-3-4-15-14(9-13)20-17(23)11(2)25-15/h3-4,9-12H,5-8,19H2,1-2H3,(H,20,23)/t10-,11?/m1/s1.
What are the key properties of 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 345.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 119316472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).