2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone

C22H22F2N2O2 — CID 167906084

IUPAC2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2cc(F)ccc21)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22F2N2O2/c23-18-3-1-15(2-4-18)22(28)16-7-10-25(11-8-16)21(27)14-26-12-9-17-13-19(24)5-6-20(17)26/h1-6,9,12-13,16,22,28H,7-8,10-11,14H2
InChIKeyVDWNXXSHPWMGGI-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.89
Rot. Bonds4

About 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone

2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone (PubChem CID 167906084) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
PubChem CID167906084
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2cc(F)ccc21)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22F2N2O2/c23-18-3-1-15(2-4-18)22(28)16-7-10-25(11-8-16)21(27)14-26-12-9-17-13-19(24)5-6-20(17)26/h1-6,9,12-13,16,22,28H,7-8,10-11,14H2
InChIKeyVDWNXXSHPWMGGI-UHFFFAOYSA-N
XLogP3.89
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 111434248
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 124619104
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone (CID 167906084) is 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone is O=C(Cn1ccc2cc(F)ccc21)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The InChIKey is VDWNXXSHPWMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c23-18-3-1-15(2-4-18)22(28)16-7-10-25(11-8-16)21(27)14-26-12-9-17-13-19(24)5-6-20(17)26/h1-6,9,12-13,16,22,28H,7-8,10-11,14H2.
What are the key properties of 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone has a molecular weight of 384.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167906084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).