[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C21H28FNO3 — CID 55314295

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)C1
InChIInChI=1S/C21H28FNO3/c1-15-10-16(2)13-23(12-15)19(24)14-26-20(25)21(8-3-4-9-21)17-6-5-7-18(22)11-17/h5-7,11,15-16H,3-4,8-10,12-14H2,1-2H3
InChIKeyMTUHHCVADAQAEV-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.69
Rot. Bonds4

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 55314295) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID55314295
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)C1
InChIInChI=1S/C21H28FNO3/c1-15-10-16(2)13-23(12-15)19(24)14-26-20(25)21(8-3-4-9-21)17-6-5-7-18(22)11-17/h5-7,11,15-16H,3-4,8-10,12-14H2,1-2H3
InChIKeyMTUHHCVADAQAEV-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55473068
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2445225
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7041919
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7858366
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-(3-chlorophenyl)cyclobutane-1-carboxylate
CID 55537955
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 55314295) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is CC1CC(C)CN(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is MTUHHCVADAQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c1-15-10-16(2)13-23(12-15)19(24)14-26-20(25)21(8-3-4-9-21)17-6-5-7-18(22)11-17/h5-7,11,15-16H,3-4,8-10,12-14H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 55314295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).