4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid

C15H25NO3 — CID 66988173

IUPAC4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid
SMILESCCC(=O)C1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-2-13(17)15(12-6-4-3-5-7-12)8-10-16(11-9-15)14(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyLHKXSRALWNRUPV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds3

About 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid

4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid (PubChem CID 66988173) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid
PubChem CID66988173
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid
SMILESCCC(=O)C1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-2-13(17)15(12-6-4-3-5-7-12)8-10-16(11-9-15)14(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyLHKXSRALWNRUPV-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid?
The IUPAC name of 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid (CID 66988173) is 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid is CCC(=O)C1(C2CCCCC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid?
The InChIKey is LHKXSRALWNRUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-13(17)15(12-6-4-3-5-7-12)8-10-16(11-9-15)14(18)19/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid?
4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-propanoylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66988173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).