N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide

C17H25N3O4 — CID 138011729

IUPACN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@H](C)c2ccc(OC)cc2OC)CC1=O
InChIInChI=1S/C17H25N3O4/c1-5-19-8-9-20(11-16(19)21)17(22)18-12(2)14-7-6-13(23-3)10-15(14)24-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyQXMSLMYQKMOMNM-GFCCVEGCSA-N
MW335.40 g/mol
LogP1.64
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 138011729) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID138011729
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N[C@H](C)c2ccc(OC)cc2OC)CC1=O
InChIInChI=1S/C17H25N3O4/c1-5-19-8-9-20(11-16(19)21)17(22)18-12(2)14-7-6-13(23-3)10-15(14)24-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyQXMSLMYQKMOMNM-GFCCVEGCSA-N
XLogP1.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
2-chloro-1-[4-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 2051192
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
2-chloro-1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 2757465
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
CID 99859397
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide (CID 138011729) is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide is CCN1CCN(C(=O)N[C@H](C)c2ccc(OC)cc2OC)CC1=O.
What is the InChIKey of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is QXMSLMYQKMOMNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-19-8-9-20(11-16(19)21)17(22)18-12(2)14-7-6-13(23-3)10-15(14)24-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide?
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 138011729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).