[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C24H27ClF2N2O2 — CID 25378744

IUPAC[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1OC1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCCC1
InChIInChI=1S/C24H27ClF2N2O2/c25-18-4-5-22(24(30)29-8-2-1-3-9-29)23(14-18)31-21-6-10-28(11-7-21)16-17-12-19(26)15-20(27)13-17/h4-5,12-15,21H,1-3,6-11,16H2
InChIKeySYILWYVLQWLZLS-UHFFFAOYSA-N
MW448.94 g/mol
LogP5.29
Rot. Bonds5

About [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 25378744) has the molecular formula C24H27ClF2N2O2 and a molecular weight of 448.94 g/mol. Its IUPAC name is [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID25378744
Molecular FormulaC24H27ClF2N2O2
Molecular Weight448.94 g/mol
Exact Mass448.17
IUPAC Name[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1OC1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCCC1
InChIInChI=1S/C24H27ClF2N2O2/c25-18-4-5-22(24(30)29-8-2-1-3-9-29)23(14-18)31-21-6-10-28(11-7-21)16-17-12-19(26)15-20(27)13-17/h4-5,12-15,21H,1-3,6-11,16H2
InChIKeySYILWYVLQWLZLS-UHFFFAOYSA-N
XLogP5.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.94
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42376596
[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42514773
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 45231117
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[4-methoxy-2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25281115
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
cyclopropyl 4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 152712132

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 25378744) is [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is O=C(c1ccc(Cl)cc1OC1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCCC1.
What is the InChIKey of [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is SYILWYVLQWLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N2O2/c25-18-4-5-22(24(30)29-8-2-1-3-9-29)23(14-18)31-21-6-10-28(11-7-21)16-17-12-19(26)15-20(27)13-17/h4-5,12-15,21H,1-3,6-11,16H2.
What are the key properties of [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 448.94 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25378744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).