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

C19H24N2O5 — CID 95800739

IUPAC(2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)COC)CC3)cc2NC1=O
InChIInChI=1S/C19H24N2O5/c1-3-15-19(24)20-14-10-13(4-5-16(14)26-15)18(23)12-6-8-21(9-7-12)17(22)11-25-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyHFQRRYMZDUKPAG-OAHLLOKOSA-N
MW360.41 g/mol
LogP1.86
Rot. Bonds5

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

(2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 95800739) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID95800739
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)COC)CC3)cc2NC1=O
InChIInChI=1S/C19H24N2O5/c1-3-15-19(24)20-14-10-13(4-5-16(14)26-15)18(23)12-6-8-21(9-7-12)17(22)11-25-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyHFQRRYMZDUKPAG-OAHLLOKOSA-N
XLogP1.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

6-(1-acetylpiperidine-4-carbonyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 110220429
(2R)-2-ethyl-6-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95067676
(2R)-2-ethyl-6-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 93058015
6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154806885
6-[1-(3-aminocyclohexanecarbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119771370
(2R)-2-ethyl-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95068766
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
(2S)-2-ethyl-6-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95068749
4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
CID 166186885
6-[1-[3-(furan-2-yl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960659
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
(2R)-2-ethyl-6-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 95067622

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (CID 95800739) is (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)COC)CC3)cc2NC1=O.
What is the InChIKey of (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is HFQRRYMZDUKPAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-15-19(24)20-14-10-13(4-5-16(14)26-15)18(23)12-6-8-21(9-7-12)17(22)11-25-2/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
(2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 360.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-6-[1-(2-methoxyacetyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 95800739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).