2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

C26H31FN2O3 — CID 53150037

IUPAC2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC(COc2ccc(C(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C26H31FN2O3/c27-24-9-3-2-8-22(24)17-25(30)29-16-6-7-20(18-29)19-32-23-12-10-21(11-13-23)26(31)28-14-4-1-5-15-28/h2-3,8-13,20H,1,4-7,14-19H2
InChIKeyGQHRKSYXZJIHCS-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.31
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (PubChem CID 53150037) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
PubChem CID53150037
Molecular FormulaC26H31FN2O3
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC(COc2ccc(C(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C26H31FN2O3/c27-24-9-3-2-8-22(24)17-25(30)29-16-6-7-20(18-29)19-32-23-12-10-21(11-13-23)26(31)28-14-4-1-5-15-28/h2-3,8-13,20H,1,4-7,14-19H2
InChIKeyGQHRKSYXZJIHCS-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 95097748
2-(2-methylphenyl)-1-[3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150172
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097554
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (CID 53150037) is 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCCC(COc2ccc(C(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The InChIKey is GQHRKSYXZJIHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3/c27-24-9-3-2-8-22(24)17-25(30)29-16-6-7-20(18-29)19-32-23-12-10-21(11-13-23)26(31)28-14-4-1-5-15-28/h2-3,8-13,20H,1,4-7,14-19H2.
What are the key properties of 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone has a molecular weight of 438.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53150037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).