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

C14H24N2O3 — CID 79615083

IUPAC2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESNC1CCCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)9-13(17)18/h10-12H,1-9,15H2,(H,17,18)
InChIKeyJQNVPVRGNWGBOZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds3

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

2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615083) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID79615083
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESNC1CCCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)9-13(17)18/h10-12H,1-9,15H2,(H,17,18)
InChIKeyJQNVPVRGNWGBOZ-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-aminocyclohexanecarbonyl)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-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
(2-aminocyclopentyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64853017
1-(2-aminocyclohexanecarbonyl)-N-ethylpiperidine-4-carboxamide
CID 64822823
(2-aminocycloheptyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696323
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid (CID 79615083) is 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid is NC1CCCCC1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is JQNVPVRGNWGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-12-4-2-1-3-11(12)14(19)16-7-5-10(6-8-16)9-13(17)18/h10-12H,1-9,15H2,(H,17,18).
What are the key properties of 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).