ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate

C21H23F2N3O3 — CID 178142731

IUPACethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1
InChIInChI=1S/C21H23F2N3O3/c1-2-28-20(27)21(7-8-21)18-12-25-19(13-24-18)26-9-5-15(6-10-26)29-17-4-3-14(22)11-16(17)23/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyMZDFQIGHNCFJGX-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.40
Rot. Bonds6

About ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate

ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate (PubChem CID 178142731) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate
PubChem CID178142731
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Nameethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1
InChIInChI=1S/C21H23F2N3O3/c1-2-28-20(27)21(7-8-21)18-12-25-19(13-24-18)26-9-5-15(6-10-26)29-17-4-3-14(22)11-16(17)23/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyMZDFQIGHNCFJGX-UHFFFAOYSA-N
XLogP3.40
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carbonitrile
CID 178142759
1-[6-chloro-5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylic acid
CID 178142750
dimethyl 2-[3-cyano-6-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]propanedioate
CID 177311956
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,7,8,9-tetrahydropyrazino[2,3-c]azepin-6-yl]ethanone
CID 177311903
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150
3-bromo-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(1-methylsulfonylcyclopropyl)pyrazine
CID 178142745
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133283565
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate
CID 66661814
3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
CID 135349444
2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
[5-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrazin-2-yl]tetrazol-2-yl] butanoate
CID 175263110

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate (CID 178142731) is ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cnc(N3CCC(Oc4ccc(F)cc4F)CC3)cn2)CC1.
What is the InChIKey of ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate?
The InChIKey is MZDFQIGHNCFJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-2-28-20(27)21(7-8-21)18-12-25-19(13-24-18)26-9-5-15(6-10-26)29-17-4-3-14(22)11-16(17)23/h3-4,11-13,15H,2,5-10H2,1H3.
What are the key properties of ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate?
ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 178142731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).