[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C23H24F2N2O4 — CID 55472289

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24F2N2O4/c1-26(13-16-4-8-19(24)9-5-16)21(28)15-31-23(30)18-3-2-12-27(14-18)22(29)17-6-10-20(25)11-7-17/h4-11,18H,2-3,12-15H2,1H3
InChIKeyOOLGEKDCVLVEMC-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.02
Rot. Bonds6

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 55472289) has the molecular formula C23H24F2N2O4 and a molecular weight of 430.45 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID55472289
Molecular FormulaC23H24F2N2O4
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24F2N2O4/c1-26(13-16-4-8-19(24)9-5-16)21(28)15-31-23(30)18-3-2-12-27(14-18)22(29)17-6-10-20(25)11-7-17/h4-11,18H,2-3,12-15H2,1H3
InChIKeyOOLGEKDCVLVEMC-UHFFFAOYSA-N
XLogP3.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
CID 55473641
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459377
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459376
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55320952
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660883

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 55472289) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is OOLGEKDCVLVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4/c1-26(13-16-4-8-19(24)9-5-16)21(28)15-31-23(30)18-3-2-12-27(14-18)22(29)17-6-10-20(25)11-7-17/h4-11,18H,2-3,12-15H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 430.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).