1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid

C14H25NO3 — CID 113354340

IUPAC1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC(C)(C)CCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)6-5-11(16)15-9-7-14(4,8-10-15)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyHOFDLVSJBMLPEN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds3

About 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid

1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 113354340) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID113354340
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC(C)(C)CCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)6-5-11(16)15-9-7-14(4,8-10-15)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyHOFDLVSJBMLPEN-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-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

4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
4-methyl-1-pent-4-enoylpiperidine-4-carboxylic acid
CID 63123464
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid (CID 113354340) is 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid is CC(C)(C)CCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is HOFDLVSJBMLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)6-5-11(16)15-9-7-14(4,8-10-15)12(17)18/h5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid?
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 113354340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).