1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid

C17H30N2O2 — CID 83997980

IUPAC1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(21)14-9-15(18-10-13-5-1-2-6-13)12-19(11-14)16-7-3-4-8-16/h13-16,18H,1-12H2,(H,20,21)
InChIKeyFGFGRIOFMDLWQI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.48
Rot. Bonds5

About 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid

1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid (PubChem CID 83997980) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
PubChem CID83997980
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(21)14-9-15(18-10-13-5-1-2-6-13)12-19(11-14)16-7-3-4-8-16/h13-16,18H,1-12H2,(H,20,21)
InChIKeyFGFGRIOFMDLWQI-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992445
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
CID 83998555
1-cyclobutyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997328
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid (CID 83997980) is 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC2CCCC2)CN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid?
The InChIKey is FGFGRIOFMDLWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(21)14-9-15(18-10-13-5-1-2-6-13)12-19(11-14)16-7-3-4-8-16/h13-16,18H,1-12H2,(H,20,21).
What are the key properties of 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid?
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83997980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).