1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid

C17H23NO3 — CID 119349401

IUPAC1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
SMILESCC(C)C(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-12(2)15(13-6-4-3-5-7-13)16(19)18-10-8-14(9-11-18)17(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)
InChIKeyITWIYCNDJAGCIQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid

1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid (PubChem CID 119349401) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
PubChem CID119349401
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
SMILESCC(C)C(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-12(2)15(13-6-4-3-5-7-13)16(19)18-10-8-14(9-11-18)17(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)
InChIKeyITWIYCNDJAGCIQ-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-2-phenylbutanoyl)piperidine-4-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

3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 3151806
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
(3R)-1-[(2S)-2-methylsulfanyl-2-phenylacetyl]pyrrolidine-3-carboxylic acid
CID 124610291
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995506
1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methyl-2-phenylbutan-1-one;hydrochloride
CID 120747473
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid (CID 119349401) is 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid is CC(C)C(C(=O)N1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid?
The InChIKey is ITWIYCNDJAGCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)15(13-6-4-3-5-7-13)16(19)18-10-8-14(9-11-18)17(20)21/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid?
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).