1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid

C16H27NO3 — CID 43354138

IUPAC1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-13-5-2-1-3-6-13)17-11-9-14(10-12-17)16(19)20/h13-14H,1-12H2,(H,19,20)
InChIKeyFCANVNFXWBOTIF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid

1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid (PubChem CID 43354138) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
PubChem CID43354138
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C16H27NO3/c18-15(8-4-7-13-5-2-1-3-6-13)17-11-9-14(10-12-17)16(19)20/h13-14H,1-12H2,(H,19,20)
InChIKeyFCANVNFXWBOTIF-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one
CID 55673832
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106005313
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid (CID 43354138) is 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCCC2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid?
The InChIKey is FCANVNFXWBOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(8-4-7-13-5-2-1-3-6-13)17-11-9-14(10-12-17)16(19)20/h13-14H,1-12H2,(H,19,20).
What are the key properties of 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid?
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43354138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).