[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

C22H26F2N4O2 — CID 57444966

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)n2)CC1
InChIInChI=1S/C22H26F2N4O2/c1-26-11-13-27(14-12-26)21-4-2-3-19(25-21)22(29)28-9-7-17(8-10-28)30-20-6-5-16(23)15-18(20)24/h2-6,15,17H,7-14H2,1H3
InChIKeyYPCXVWHQYOQCMM-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.80
Rot. Bonds4

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 57444966) has the molecular formula C22H26F2N4O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID57444966
Molecular FormulaC22H26F2N4O2
Molecular Weight416.47 g/mol
Exact Mass416.20
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCN1CCN(c2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)n2)CC1
InChIInChI=1S/C22H26F2N4O2/c1-26-11-13-27(14-12-26)21-4-2-3-19(25-21)22(29)28-9-7-17(8-10-28)30-20-6-5-16(23)15-18(20)24/h2-6,15,17H,7-14H2,1H3
InChIKeyYPCXVWHQYOQCMM-UHFFFAOYSA-N
XLogP2.80
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (CID 57444966) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is CN1CCN(c2cccc(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)n2)CC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is YPCXVWHQYOQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2/c1-26-11-13-27(14-12-26)21-4-2-3-19(25-21)22(29)28-9-7-17(8-10-28)30-20-6-5-16(23)15-18(20)24/h2-6,15,17H,7-14H2,1H3.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 416.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 57444966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).