1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone

C24H24F2N4O — CID 56658650

IUPAC1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(NC(c2cnccn2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C24H24F2N4O/c25-18-6-7-20(21(26)15-18)24(22-16-27-10-11-28-22)29-19-8-12-30(13-9-19)23(31)14-17-4-2-1-3-5-17/h1-7,10-11,15-16,19,24,29H,8-9,12-14H2
InChIKeyFMLVPBKDWXMDJI-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone

1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone (PubChem CID 56658650) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone
PubChem CID56658650
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(NC(c2cnccn2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C24H24F2N4O/c25-18-6-7-20(21(26)15-18)24(22-16-27-10-11-28-22)29-19-8-12-30(13-9-19)23(31)14-17-4-2-1-3-5-17/h1-7,10-11,15-16,19,24,29H,8-9,12-14H2
InChIKeyFMLVPBKDWXMDJI-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone (CID 56658650) is 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(NC(c2cnccn2)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone?
The InChIKey is FMLVPBKDWXMDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c25-18-6-7-20(21(26)15-18)24(22-16-27-10-11-28-22)29-19-8-12-30(13-9-19)23(31)14-17-4-2-1-3-5-17/h1-7,10-11,15-16,19,24,29H,8-9,12-14H2.
What are the key properties of 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone?
1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone has a molecular weight of 422.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 56658650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).