1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid

C16H29NO2 — CID 113483668

IUPAC1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2CC)CC1
InChIInChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-11-17(12-10-16)14-7-5-6-13(14)4-2/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyIRPJDJVZZUHCQK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid

1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 113483668) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID113483668
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2CC)CC1
InChIInChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-11-17(12-10-16)14-7-5-6-13(14)4-2/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyIRPJDJVZZUHCQK-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380
1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068564
1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 107450485
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126194

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid (CID 113483668) is 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCCC2CC)CC1.
What is the InChIKey of 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is IRPJDJVZZUHCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-8-16(15(18)19)9-11-17(12-10-16)14-7-5-6-13(14)4-2/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid?
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 113483668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).