1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid

C17H29NO3 — CID 69260899

IUPAC1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
SMILESCCCC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-2-6-16(19)18-11-14(10-15(12-18)17(20)21)9-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3,(H,20,21)
InChIKeyZUSMDBLRRKYGJI-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.31
Rot. Bonds5

About 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid

1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid (PubChem CID 69260899) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
PubChem CID69260899
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
SMILESCCCC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C17H29NO3/c1-2-6-16(19)18-11-14(10-15(12-18)17(20)21)9-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3,(H,20,21)
InChIKeyZUSMDBLRRKYGJI-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid (CID 69260899) is 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid is CCCC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The InChIKey is ZUSMDBLRRKYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-6-16(19)18-11-14(10-15(12-18)17(20)21)9-13-7-4-3-5-8-13/h13-15H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 69260899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).