[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C24H29FN2O2 — CID 24790458

IUPAC[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(Cc3cccc(F)c3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C24H29FN2O2/c25-21-6-4-5-19(17-21)18-26-15-11-23(12-16-26)29-22-9-7-20(8-10-22)24(28)27-13-2-1-3-14-27/h4-10,17,23H,1-3,11-16,18H2
InChIKeyXLZSAMZGZZPSBM-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.50
Rot. Bonds5

About [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 24790458) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID24790458
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OC2CCN(Cc3cccc(F)c3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C24H29FN2O2/c25-21-6-4-5-19(17-21)18-26-15-11-23(12-16-26)29-22-9-7-20(8-10-22)24(28)27-13-2-1-3-14-27/h4-10,17,23H,1-3,11-16,18H2
InChIKeyXLZSAMZGZZPSBM-UHFFFAOYSA-N
XLogP4.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3S)-pyrrolidin-3-yl]phenyl]methanone
CID 95876601
[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24791134
[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25378744
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
2-(4-fluorophenoxy)-1-[4-[[3-(piperidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78905265
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 24790458) is [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is O=C(c1ccc(OC2CCN(Cc3cccc(F)c3)CC2)cc1)N1CCCCC1.
What is the InChIKey of [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is XLZSAMZGZZPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-21-6-4-5-19(17-21)18-26-15-11-23(12-16-26)29-22-9-7-20(8-10-22)24(28)27-13-2-1-3-14-27/h4-10,17,23H,1-3,11-16,18H2.
What are the key properties of [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 396.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24790458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).