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

C14H25NO2 — CID 65068812

IUPAC1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-11(12-6-3-4-7-12)15-9-5-8-14(2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyNGRMUGRPGOKLQA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

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

1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 65068812) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID65068812
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC(C1CCCC1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-11(12-6-3-4-7-12)15-9-5-8-14(2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyNGRMUGRPGOKLQA-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189
3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
CID 103565147
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 55164154

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid (CID 65068812) is 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid is CC(C1CCCC1)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is NGRMUGRPGOKLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(12-6-3-4-7-12)15-9-5-8-14(2,10-15)13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid?
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).