4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide

C16H23N3O3 — CID 110086218

IUPAC4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccccc2OC)CCN1C
InChIInChI=1S/C16H23N3O3/c1-17-16(21)13-11-19(9-8-18(13)2)15(20)10-12-6-4-5-7-14(12)22-3/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyJISAWAIPMHVUPI-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.13
Rot. Bonds4

About 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide

4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 110086218) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
PubChem CID110086218
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccccc2OC)CCN1C
InChIInChI=1S/C16H23N3O3/c1-17-16(21)13-11-19(9-8-18(13)2)15(20)10-12-6-4-5-7-14(12)22-3/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyJISAWAIPMHVUPI-UHFFFAOYSA-N
XLogP0.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 97237972
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086497
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 95293833

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide (CID 110086218) is 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)Cc2ccccc2OC)CCN1C.
What is the InChIKey of 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is JISAWAIPMHVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-17-16(21)13-11-19(9-8-18(13)2)15(20)10-12-6-4-5-7-14(12)22-3/h4-7,13H,8-11H2,1-3H3,(H,17,21).
What are the key properties of 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide?
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).