2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid

C18H32N2O2 — CID 83999366

IUPAC2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NC2CCCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)11-14-10-16(19-15-6-2-1-3-7-15)13-20(12-14)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyQJKARHIHUXPEIH-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.02
Rot. Bonds5

About 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid

2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid (PubChem CID 83999366) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
PubChem CID83999366
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1CC(NC2CCCCC2)CN(C2CCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)11-14-10-16(19-15-6-2-1-3-7-15)13-20(12-14)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22)
InChIKeyQJKARHIHUXPEIH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-cyclopentyl-5-(cyclopropylamino)piperidin-3-yl]acetic acid
CID 83991764
N,1-dicyclohexyl-5-ethylpiperidin-3-amine
CID 83999396
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
1-[1-cyclobutyl-5-(cyclohexylamino)piperidin-3-yl]butan-2-ol
CID 83999419
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
3-[1-cyclobutyl-5-(cyclopropylamino)piperidin-3-yl]propan-1-ol
CID 83991811
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid (CID 83999366) is 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid is O=C(O)CC1CC(NC2CCCCC2)CN(C2CCCC2)C1.
What is the InChIKey of 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid?
The InChIKey is QJKARHIHUXPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-18(22)11-14-10-16(19-15-6-2-1-3-7-15)13-20(12-14)17-8-4-5-9-17/h14-17,19H,1-13H2,(H,21,22).
What are the key properties of 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid?
2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid has a molecular weight of 308.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 83999366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).