1-(2-methylpentanoyl)piperidine-4-carboxylic acid

C12H21NO3 — CID 43209769

IUPAC1-(2-methylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXECBUOYPFADXOF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds4

About 1-(2-methylpentanoyl)piperidine-4-carboxylic acid

1-(2-methylpentanoyl)piperidine-4-carboxylic acid (PubChem CID 43209769) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2-methylpentanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentanoyl)piperidine-4-carboxylic acid
PubChem CID43209769
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2-methylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyXECBUOYPFADXOF-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpentanoyl)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

(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-[4-(1-bromoethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 106839235
1-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 121494294
1-[1-(2-methylpentanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020562
1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201
1-[4-(cyclobutylamino)piperidin-1-yl]-2-methylpentan-1-one
CID 165457617
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
CID 120512247
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
CID 43521431
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylpentanoyl)piperidine-4-carboxylic acid (CID 43209769) is 1-(2-methylpentanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpentanoyl)piperidine-4-carboxylic acid is CCCC(C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylpentanoyl)piperidine-4-carboxylic acid?
The InChIKey is XECBUOYPFADXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-9(2)11(14)13-7-5-10(6-8-13)12(15)16/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methylpentanoyl)piperidine-4-carboxylic acid?
1-(2-methylpentanoyl)piperidine-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43209769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).