2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

C20H24FNO3 — CID 6735098

IUPAC2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C20H24FNO3/c21-17-5-3-15(4-6-17)16-7-11-22(12-8-16)18(23)13-20(14-19(24)25)9-1-2-10-20/h3-7H,1-2,8-14H2,(H,24,25)
InChIKeyRRIRAOVDVHCJJE-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 6735098) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID6735098
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C20H24FNO3/c21-17-5-3-15(4-6-17)16-7-11-22(12-8-16)18(23)13-20(14-19(24)25)9-1-2-10-20/h3-7H,1-2,8-14H2,(H,24,25)
InChIKeyRRIRAOVDVHCJJE-UHFFFAOYSA-N
XLogP3.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]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-[3-(4-Fluorophenyl)propylcarbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10271084
(S)-2-{1-[3-(4-fluoro-phenyl)-propylcarbamoyl]-cyclopentylmethyl}-4-methoxy-butyric acid
CID 44422283
2-[1-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738268
(1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl)acetic acid
CID 11595231
2-[1-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547714
2-[1-[2-[(2-Fluorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738147
3-(4-(4-Fluorobenzyl)piperazine-1-carbonyl)-1,2,2-trimethylcyclopentanecarboxylic acid
CID 19577039
{1-[2-(Benzylamino)-2-oxoethyl]cyclopentyl}acetic acid
CID 938078
2-[1-[2-[Benzyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 1547709
2-[1-[2-(Benzylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 2738273
4-Benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid
CID 134787290
2-[1-[2-Oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]cyclopentyl]acetic acid
CID 4387877

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (CID 6735098) is 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1.
What is the InChIKey of 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is RRIRAOVDVHCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c21-17-5-3-15(4-6-17)16-7-11-22(12-8-16)18(23)13-20(14-19(24)25)9-1-2-10-20/h3-7H,1-2,8-14H2,(H,24,25).
What are the key properties of 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 345.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 6735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).