4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C15H25NO3 — CID 63783975

IUPAC4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-2-13-5-3-4-10-16(13)14(17)11-6-8-12(9-7-11)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyXGKLNBBLENIXJW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds3

About 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783975) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783975
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-2-13-5-3-4-10-16(13)14(17)11-6-8-12(9-7-11)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyXGKLNBBLENIXJW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783975) is 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is CCC1CCCCN1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is XGKLNBBLENIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-13-5-3-4-10-16(13)14(17)11-6-8-12(9-7-11)15(18)19/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).