2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H26FN3O2 — CID 3228843

IUPAC2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(O)(c2cccc(F)c2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)23(29)9-12-27(13-10-23)16-22(28)25-11-8-17-15-26-21-7-2-1-6-20(17)21/h1-7,14-15,26,29H,8-13,16H2,(H,25,28)
InChIKeyORDLEVWTUCIPAA-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 3228843) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID3228843
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC(O)(c2cccc(F)c2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)23(29)9-12-27(13-10-23)16-22(28)25-11-8-17-15-26-21-7-2-1-6-20(17)21/h1-7,14-15,26,29H,8-13,16H2,(H,25,28)
InChIKeyORDLEVWTUCIPAA-UHFFFAOYSA-N
XLogP2.95
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-741,626
CID 133633
Nb-p-Coumaroyltryptamine
CID 5458878
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Cyclo(-D-Trp-Tyr)
CID 7408398
(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
CID 7408259
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307875
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307957
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(3-methoxypropyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392013
(3S,4R)-N-[(1-benzyl-4-fluoroindol-3-yl)methyl]-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 57393727
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57393729
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[1-[(3,4-difluorophenyl)methyl]-4-fluoroindol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57395455

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 3228843) is 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCC(O)(c2cccc(F)c2)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ORDLEVWTUCIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-19-5-3-4-18(14-19)23(29)9-12-27(13-10-23)16-22(28)25-11-8-17-15-26-21-7-2-1-6-20(17)21/h1-7,14-15,26,29H,8-13,16H2,(H,25,28).
What are the key properties of 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 3228843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).