[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C26H31FN2O2 — CID 25460818

IUPAC[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1OC1CCN(C/C=C/c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C26H31FN2O2/c27-22-12-10-21(11-13-22)7-6-16-28-19-14-23(15-20-28)31-25-9-3-2-8-24(25)26(30)29-17-4-1-5-18-29/h2-3,6-13,23H,1,4-5,14-20H2/b7-6+
InChIKeyIWALUAWCZWGUHU-VOTSOKGWSA-N
MW422.54 g/mol
LogP5.01
Rot. Bonds6

About [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 25460818) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID25460818
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1OC1CCN(C/C=C/c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C26H31FN2O2/c27-22-12-10-21(11-13-22)7-6-16-28-19-14-23(15-20-28)31-25-9-3-2-8-24(25)26(30)29-17-4-1-5-18-29/h2-3,6-13,23H,1,4-5,14-20H2/b7-6+
InChIKeyIWALUAWCZWGUHU-VOTSOKGWSA-N
XLogP5.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[4-methoxy-2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26329530
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
CID 4239004
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 72929961
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 25460818) is [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is O=C(c1ccccc1OC1CCN(C/C=C/c2ccc(F)cc2)CC1)N1CCCCC1.
What is the InChIKey of [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is IWALUAWCZWGUHU-VOTSOKGWSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-22-12-10-21(11-13-22)7-6-16-28-19-14-23(15-20-28)31-25-9-3-2-8-24(25)26(30)29-17-4-1-5-18-29/h2-3,6-13,23H,1,4-5,14-20H2/b7-6+.
What are the key properties of [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 422.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25460818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).