5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid

C18H25NO3 — CID 122120007

IUPAC5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCCCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-11-13(2)10-15(12-19)18(21)22/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,21,22)
InChIKeyWVGRGRXKLSCOAL-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.14
Rot. Bonds5

About 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid

5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid (PubChem CID 122120007) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
PubChem CID122120007
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
SMILESCCCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-11-13(2)10-15(12-19)18(21)22/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,21,22)
InChIKeyWVGRGRXKLSCOAL-UHFFFAOYSA-N
XLogP3.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-(2-phenylpentanoyl)piperidine-3-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

5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
1-(2-benzamido-2-phenylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122119953
1-(2-benzylsulfanylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118776
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
1-(2,2-dimethyl-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid (CID 122120007) is 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid is CCCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid?
The InChIKey is WVGRGRXKLSCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-11-13(2)10-15(12-19)18(21)22/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid?
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122120007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).