2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid

C15H20N2O3 — CID 84751142

IUPAC2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
SMILESCC(=O)N1CCN(C(C(=O)O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20N2O3/c1-11-3-5-13(6-4-11)14(15(19)20)17-9-7-16(8-10-17)12(2)18/h3-6,14H,7-10H2,1-2H3,(H,19,20)
InChIKeyPRVFFJOGJRJEKO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid

2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid (PubChem CID 84751142) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
PubChem CID84751142
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
SMILESCC(=O)N1CCN(C(C(=O)O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20N2O3/c1-11-3-5-13(6-4-11)14(15(19)20)17-9-7-16(8-10-17)12(2)18/h3-6,14H,7-10H2,1-2H3,(H,19,20)
InChIKeyPRVFFJOGJRJEKO-UHFFFAOYSA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84746485
1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
CID 155201573
2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid
CID 86284847
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-2-(4-phenylmethoxyphenyl)acetic acid
CID 97198243
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005
2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978333
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-2-(3-ethylphenyl)acetic acid
CID 97207481
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
CID 97206232
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid (CID 84751142) is 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid is CC(=O)N1CCN(C(C(=O)O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid?
The InChIKey is PRVFFJOGJRJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-3-5-13(6-4-11)14(15(19)20)17-9-7-16(8-10-17)12(2)18/h3-6,14H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid?
2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 84751142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).