[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C23H24FN3O6 — CID 46660896

IUPAC[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H24FN3O6/c1-32-19-10-8-18(9-11-19)25-23(31)26-20(28)14-33-22(30)16-3-2-12-27(13-16)21(29)15-4-6-17(24)7-5-15/h4-11,16H,2-3,12-14H2,1H3,(H2,25,26,28,31)
InChIKeyVPIWBUYOICIJBN-UHFFFAOYSA-N
MW457.46 g/mol
LogP2.58
Rot. Bonds6

About [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 46660896) has the molecular formula C23H24FN3O6 and a molecular weight of 457.46 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID46660896
Molecular FormulaC23H24FN3O6
Molecular Weight457.46 g/mol
Exact Mass457.16
IUPAC Name[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C23H24FN3O6/c1-32-19-10-8-18(9-11-19)25-23(31)26-20(28)14-33-22(30)16-3-2-12-27(13-16)21(29)15-4-6-17(24)7-5-15/h4-11,16H,2-3,12-14H2,1H3,(H2,25,26,28,31)
InChIKeyVPIWBUYOICIJBN-UHFFFAOYSA-N
XLogP2.58
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459376
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459377
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660883
[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46662282
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 46660896) is [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is COc1ccc(NC(=O)NC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is VPIWBUYOICIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6/c1-32-19-10-8-18(9-11-19)25-23(31)26-20(28)14-33-22(30)16-3-2-12-27(13-16)21(29)15-4-6-17(24)7-5-15/h4-11,16H,2-3,12-14H2,1H3,(H2,25,26,28,31).
What are the key properties of [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 457.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 46660896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).