2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid

C13H23NO2 — CID 79608698

IUPAC2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13(16)9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h11-12H,1-10H2,(H,15,16)
InChIKeyKIVNONBXIVMEMC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid

2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid (PubChem CID 79608698) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
PubChem CID79608698
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13(16)9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h11-12H,1-10H2,(H,15,16)
InChIKeyKIVNONBXIVMEMC-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(cyclopentylmethyl)piperidin-4-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-ethylazepan-4-yl)acetic acid
CID 65075692
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
CID 103159436
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62824701
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 65458095
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
CID 89058382
CID 89058382
2-cyclohexylacetic acid;sulfuric acid
CID 174433718

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid (CID 79608698) is 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid?
The InChIKey is KIVNONBXIVMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(16)9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h11-12H,1-10H2,(H,15,16).
What are the key properties of 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid?
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).