2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid

C14H18N2O3 — CID 114199768

IUPAC2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
SMILESCN1CCN(C(=O)c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-15-6-8-16(9-7-15)14(19)12-5-3-2-4-11(12)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyIJHSBVYXNUYAPQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.70
Rot. Bonds3

About 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid

2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid (PubChem CID 114199768) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
PubChem CID114199768
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
SMILESCN1CCN(C(=O)c2ccccc2CC(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-15-6-8-16(9-7-15)14(19)12-5-3-2-4-11(12)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyIJHSBVYXNUYAPQ-UHFFFAOYSA-N
XLogP0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
CID 827133
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769633
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
2-(4-methylpiperazine-1-carbonyl)benzoyl azide
CID 162228609
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid (CID 114199768) is 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid is CN1CCN(C(=O)c2ccccc2CC(=O)O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid?
The InChIKey is IJHSBVYXNUYAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-6-8-16(9-7-15)14(19)12-5-3-2-4-11(12)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid?
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid is sourced from PubChem (CID 114199768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).