methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate

C15H19FN2O4 — CID 70728293

IUPACmethyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O4/c1-21-15(20)17-10-14(19)18-7-5-12(6-8-18)22-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10H2,1H3,(H,17,20)
InChIKeyXYFYCJJSPWDUJC-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.55
Rot. Bonds4

About methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 70728293) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID70728293
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Namemethyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O4/c1-21-15(20)17-10-14(19)18-7-5-12(6-8-18)22-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10H2,1H3,(H,17,20)
InChIKeyXYFYCJJSPWDUJC-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
(2S)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-hydroxy-4-methylsulfanylbutan-1-one
CID 95860958
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate (CID 70728293) is methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is XYFYCJJSPWDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-21-15(20)17-10-14(19)18-7-5-12(6-8-18)22-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10H2,1H3,(H,17,20).
What are the key properties of methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 310.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 70728293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).