[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C23H33FN2O4 — CID 55309412

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33FN2O4/c1-16(2)13-26(14-17(3)4)21(27)15-30-23(29)19-9-11-25(12-10-19)22(28)18-5-7-20(24)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3
InChIKeyKTKKZKGEPMXZJK-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.36
Rot. Bonds8

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 55309412) has the molecular formula C23H33FN2O4 and a molecular weight of 420.53 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID55309412
Molecular FormulaC23H33FN2O4
Molecular Weight420.53 g/mol
Exact Mass420.24
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33FN2O4/c1-16(2)13-26(14-17(3)4)21(27)15-30-23(29)19-9-11-25(12-10-19)22(28)18-5-7-20(24)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3
InChIKeyKTKKZKGEPMXZJK-UHFFFAOYSA-N
XLogP3.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate 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

4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 55587634
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508793
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508382
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 55309412) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CC(C)CN(CC(C)C)C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is KTKKZKGEPMXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O4/c1-16(2)13-26(14-17(3)4)21(27)15-30-23(29)19-9-11-25(12-10-19)22(28)18-5-7-20(24)8-6-18/h5-8,16-17,19H,9-15H2,1-4H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 420.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55309412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).