methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate

C19H27N3O5 — CID 97436839

IUPACmethyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C(=O)OC)ccc1OC
InChIInChI=1S/C19H27N3O5/c1-5-6-7-15-17(23)21(2)10-11-22(15)19(25)20-14-12-13(18(24)27-4)8-9-16(14)26-3/h8-9,12,15H,5-7,10-11H2,1-4H3,(H,20,25)/t15-/m1/s1
InChIKeyOQAWQCZDUHBXQF-OAHLLOKOSA-N
MW377.44 g/mol
LogP2.35
Rot. Bonds6

About methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate

methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate (PubChem CID 97436839) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
PubChem CID97436839
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namemethyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C(=O)OC)ccc1OC
InChIInChI=1S/C19H27N3O5/c1-5-6-7-15-17(23)21(2)10-11-22(15)19(25)20-14-12-13(18(24)27-4)8-9-16(14)26-3/h8-9,12,15H,5-7,10-11H2,1-4H3,(H,20,25)/t15-/m1/s1
InChIKeyOQAWQCZDUHBXQF-OAHLLOKOSA-N
XLogP2.35
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate with MolForge

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Related Compounds

2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70757054
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 118792659
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510478
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119066017
2-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 46985100
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate (CID 97436839) is methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate is CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(C(=O)OC)ccc1OC.
What is the InChIKey of methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate?
The InChIKey is OQAWQCZDUHBXQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-5-6-7-15-17(23)21(2)10-11-22(15)19(25)20-14-12-13(18(24)27-4)8-9-16(14)26-3/h8-9,12,15H,5-7,10-11H2,1-4H3,(H,20,25)/t15-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate?
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate has a molecular weight of 377.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate is sourced from PubChem (CID 97436839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).