1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid

C13H23NO3 — CID 70314282

IUPAC1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C)(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-7-13(2,3)12(17)14-8-5-10(6-9-14)11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyYIKLWKHWHYTTGM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds4

About 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid

1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid (PubChem CID 70314282) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid
PubChem CID70314282
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid
SMILESCCCC(C)(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-7-13(2,3)12(17)14-8-5-10(6-9-14)11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyYIKLWKHWHYTTGM-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
1-((Tert-butoxy)carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 46318385
1-[(Tert-butoxy)carbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 57790581

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid (CID 70314282) is 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid is CCCC(C)(C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid?
The InChIKey is YIKLWKHWHYTTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-7-13(2,3)12(17)14-8-5-10(6-9-14)11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid?
1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70314282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).