5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid

C17H24N2O3 — CID 134069407

IUPAC5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2C)c1
InChIInChI=1S/C17H24N2O3/c1-13-5-3-6-15(11-13)19-10-9-18(12-14(19)2)16(20)7-4-8-17(21)22/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H,21,22)
InChIKeyLDXRJHZGZKFUGU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds5

About 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid

5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 134069407) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID134069407
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2C)c1
InChIInChI=1S/C17H24N2O3/c1-13-5-3-6-15(11-13)19-10-9-18(12-14(19)2)16(20)7-4-8-17(21)22/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H,21,22)
InChIKeyLDXRJHZGZKFUGU-UHFFFAOYSA-N
XLogP2.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic 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

(1R,2R,6S,7R)-4-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98177234
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
3-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 22422818
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 15995654
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 6625772
3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22423403
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 22579433
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 20851364

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid (CID 134069407) is 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid is Cc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2C)c1.
What is the InChIKey of 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is LDXRJHZGZKFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-5-3-6-15(11-13)19-10-9-18(12-14(19)2)16(20)7-4-8-17(21)22/h3,5-6,11,14H,4,7-10,12H2,1-2H3,(H,21,22).
What are the key properties of 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 134069407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).