methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate

C16H20FN3O4 — CID 8742085

IUPACmethyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c1-24-15(22)11-6-8-20(9-7-11)10-14(21)19-16(23)18-13-5-3-2-4-12(13)17/h2-5,11H,6-10H2,1H3,(H2,18,19,21,23)
InChIKeyMIWLRZRGYAVFJP-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.36
Rot. Bonds4

About methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8742085) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8742085
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Namemethyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O4/c1-24-15(22)11-6-8-20(9-7-11)10-14(21)19-16(23)18-13-5-3-2-4-12(13)17/h2-5,11H,6-10H2,1H3,(H2,18,19,21,23)
InChIKeyMIWLRZRGYAVFJP-UHFFFAOYSA-N
XLogP1.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate (CID 8742085) is methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is MIWLRZRGYAVFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-24-15(22)11-6-8-20(9-7-11)10-14(21)19-16(23)18-13-5-3-2-4-12(13)17/h2-5,11H,6-10H2,1H3,(H2,18,19,21,23).
What are the key properties of methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8742085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).