2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid

C21H25N3O4 — CID 69367314

IUPAC2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
SMILESCNC1(C(C)=O)CN(c2ccc(-c3cccc(OC)c3)cc2)CCN1C(=O)O
InChIInChI=1S/C21H25N3O4/c1-15(25)21(22-2)14-23(11-12-24(21)20(26)27)18-9-7-16(8-10-18)17-5-4-6-19(13-17)28-3/h4-10,13,22H,11-12,14H2,1-3H3,(H,26,27)
InChIKeyXDLQACURWDRLQZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.67
Rot. Bonds5

About 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid

2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid (PubChem CID 69367314) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
PubChem CID69367314
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
SMILESCNC1(C(C)=O)CN(c2ccc(-c3cccc(OC)c3)cc2)CCN1C(=O)O
InChIInChI=1S/C21H25N3O4/c1-15(25)21(22-2)14-23(11-12-24(21)20(26)27)18-9-7-16(8-10-18)17-5-4-6-19(13-17)28-3/h4-10,13,22H,11-12,14H2,1-3H3,(H,26,27)
InChIKeyXDLQACURWDRLQZ-UHFFFAOYSA-N
XLogP2.67
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyl-2-(methylamino)-4-[4-(3-propan-2-ylphenyl)phenyl]piperazine-1-carboxylic acid
CID 69366148
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
2-(methylamino)-2-(2-oxoethyl)-4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 87799450
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
2-(methylamino)-2-(2-oxoethyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine-1-carboxylic acid
CID 87798856
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
(2S)-1-N-[4-(3-methoxyphenyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97452585
[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3931977

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid?
The IUPAC name of 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid (CID 69367314) is 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid?
The canonical SMILES for 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid is CNC1(C(C)=O)CN(c2ccc(-c3cccc(OC)c3)cc2)CCN1C(=O)O.
What is the InChIKey of 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid?
The InChIKey is XDLQACURWDRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15(25)21(22-2)14-23(11-12-24(21)20(26)27)18-9-7-16(8-10-18)17-5-4-6-19(13-17)28-3/h4-10,13,22H,11-12,14H2,1-3H3,(H,26,27).
What are the key properties of 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid?
2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid is sourced from PubChem (CID 69367314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).