1-butanoyl-3-methylpiperidine-4-carboxylic acid

C11H19NO3 — CID 20606403

IUPAC1-butanoyl-3-methylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)8(2)7-12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyMJAPKWZEFDCVKL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds3

About 1-butanoyl-3-methylpiperidine-4-carboxylic acid

1-butanoyl-3-methylpiperidine-4-carboxylic acid (PubChem CID 20606403) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-butanoyl-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-3-methylpiperidine-4-carboxylic acid
PubChem CID20606403
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-butanoyl-3-methylpiperidine-4-carboxylic acid
SMILESCCCC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)8(2)7-12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyMJAPKWZEFDCVKL-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530
3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479
1-(3-sulfanylpyrrolidin-1-yl)butan-1-one
CID 165402079
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 130516067
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
1-(3-methylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107023837
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-butanoyl-3-methylpiperidine-4-carboxylic acid (CID 20606403) is 1-butanoyl-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-butanoyl-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-butanoyl-3-methylpiperidine-4-carboxylic acid is CCCC(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 1-butanoyl-3-methylpiperidine-4-carboxylic acid?
The InChIKey is MJAPKWZEFDCVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-10(13)12-6-5-9(11(14)15)8(2)7-12/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-butanoyl-3-methylpiperidine-4-carboxylic acid?
1-butanoyl-3-methylpiperidine-4-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 20606403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).