1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid

C18H25NO3 — CID 120514917

IUPAC1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid
SMILESCC(C)(CCC(=O)N1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(2,14-8-4-3-5-9-14)12-11-16(20)19-13-7-6-10-15(19)17(21)22/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,22)
InChIKeyCEMROYJMKUAMFV-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid

1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid (PubChem CID 120514917) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid
PubChem CID120514917
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid
SMILESCC(C)(CCC(=O)N1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(2,14-8-4-3-5-9-14)12-11-16(20)19-13-7-6-10-15(19)17(21)22/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,22)
InChIKeyCEMROYJMKUAMFV-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-4-phenylpentanoyl)piperidine-2-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

1-(3-methyl-3-phenylbutanoyl)piperidine-2-carboxylic acid
CID 119176322
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
(2R)-1-[3-(2,3-dihydro-1H-inden-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54494835
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid (CID 120514917) is 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid is CC(C)(CCC(=O)N1CCCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid?
The InChIKey is CEMROYJMKUAMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,14-8-4-3-5-9-14)12-11-16(20)19-13-7-6-10-15(19)17(21)22/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid?
1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-4-phenylpentanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120514917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).