1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid

C16H25NO3 — CID 71915692

IUPAC1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CC2C2CCCCC2)C1
InChIInChI=1S/C16H25NO3/c18-15(17-8-4-7-12(10-17)16(19)20)14-9-13(14)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,19,20)
InChIKeyYDKCQXBLCJDOID-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid

1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid (PubChem CID 71915692) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid
PubChem CID71915692
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CC2C2CCCCC2)C1
InChIInChI=1S/C16H25NO3/c18-15(17-8-4-7-12(10-17)16(19)20)14-9-13(14)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,19,20)
InChIKeyYDKCQXBLCJDOID-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid (CID 71915692) is 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CC2C2CCCCC2)C1.
What is the InChIKey of 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
The InChIKey is YDKCQXBLCJDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15(17-8-4-7-12(10-17)16(19)20)14-9-13(14)11-5-2-1-3-6-11/h11-14H,1-10H2,(H,19,20).
What are the key properties of 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid?
1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropanecarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 71915692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).