2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid

C15H21N3O3 — CID 69365331

IUPAC2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid
SMILESCNC1(C(C)=O)CN(c2ccccc2C)CCN1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11-6-4-5-7-13(11)17-8-9-18(14(20)21)15(10-17,16-3)12(2)19/h4-7,16H,8-10H2,1-3H3,(H,20,21)
InChIKeyRFRSRDUQLOPDKA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.30
Rot. Bonds3

About 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid

2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid (PubChem CID 69365331) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid
PubChem CID69365331
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid
SMILESCNC1(C(C)=O)CN(c2ccccc2C)CCN1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11-6-4-5-7-13(11)17-8-9-18(14(20)21)15(10-17,16-3)12(2)19/h4-7,16H,8-10H2,1-3H3,(H,20,21)
InChIKeyRFRSRDUQLOPDKA-UHFFFAOYSA-N
XLogP1.30
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-4-(4-chlorophenyl)-2-(methylamino)piperazine-1-carboxylic acid
CID 69366611
2-acetyl-4-[4-(3-methoxyphenyl)phenyl]-2-(methylamino)piperazine-1-carboxylic acid
CID 69367314
2-(methylamino)-2-(2-oxoethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid
CID 87799303
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 3066930
2-acetyl-2-(ethylamino)-4-pyrazin-2-ylpiperazine-1-carboxylic acid
CID 69365488
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
CID 44527477

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid (CID 69365331) is 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid is CNC1(C(C)=O)CN(c2ccccc2C)CCN1C(=O)O.
What is the InChIKey of 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid?
The InChIKey is RFRSRDUQLOPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-4-5-7-13(11)17-8-9-18(14(20)21)15(10-17,16-3)12(2)19/h4-7,16H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid?
2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-(methylamino)-4-(2-methylphenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69365331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).