1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid

C15H27NO2 — CID 65068729

IUPAC1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(C)C2CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-3-15(14(17)18)9-6-10-16(11-15)12(2)13-7-4-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyZJHYECBPAVMZHZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds4

About 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid

1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 65068729) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID65068729
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(C)C2CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-3-15(14(17)18)9-6-10-16(11-15)12(2)13-7-4-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyZJHYECBPAVMZHZ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068968
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
1-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068446
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid (CID 65068729) is 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(C)C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is ZJHYECBPAVMZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-15(14(17)18)9-6-10-16(11-15)12(2)13-7-4-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid?
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).