ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate

C23H29FN2O6 — CID 55473641

IUPACethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN2O6/c1-2-31-23(30)19-7-3-4-13-26(19)20(27)15-32-22(29)17-6-5-12-25(14-17)21(28)16-8-10-18(24)11-9-16/h8-11,17,19H,2-7,12-15H2,1H3
InChIKeyLCRCLOGMDBULIS-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.17
Rot. Bonds6

About ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate

ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate (PubChem CID 55473641) has the molecular formula C23H29FN2O6 and a molecular weight of 448.49 g/mol. Its IUPAC name is ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
PubChem CID55473641
Molecular FormulaC23H29FN2O6
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Nameethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H29FN2O6/c1-2-31-23(30)19-7-3-4-13-26(19)20(27)15-32-22(29)17-6-5-12-25(14-17)21(28)16-8-10-18(24)11-9-16/h8-11,17,19H,2-7,12-15H2,1H3
InChIKeyLCRCLOGMDBULIS-UHFFFAOYSA-N
XLogP2.17
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459377
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660883

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate (CID 55473641) is ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate?
The InChIKey is LCRCLOGMDBULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O6/c1-2-31-23(30)19-7-3-4-13-26(19)20(27)15-32-22(29)17-6-5-12-25(14-17)21(28)16-8-10-18(24)11-9-16/h8-11,17,19H,2-7,12-15H2,1H3.
What are the key properties of ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate?
ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate has a molecular weight of 448.49 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 55473641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).