5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid

C18H32N2O2 — CID 83998672

IUPAC5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)15-10-16(19-11-14-6-2-1-3-7-14)13-20(12-15)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyIDJBQQIEILBVID-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds5

About 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid

5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid (PubChem CID 83998672) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
PubChem CID83998672
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)15-10-16(19-11-14-6-2-1-3-7-14)13-20(12-15)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyIDJBQQIEILBVID-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
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
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
CID 83998555
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
CID 83990502
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
1-cyclobutyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997328
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid (CID 83998672) is 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid is O=C(O)C1CC(NCC2CCCCC2)CN(C2CCCC2)C1.
What is the InChIKey of 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid?
The InChIKey is IDJBQQIEILBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-18(22)15-10-16(19-11-14-6-2-1-3-7-14)13-20(12-15)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22).
What are the key properties of 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid?
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid has a molecular weight of 308.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83998672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).