2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide

C24H28FN3O2 — CID 154699752

IUPAC2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2ccn(C3CCN(CC(O)c4ccccc4F)CC3)c2c1
InChIInChI=1S/C24H28FN3O2/c1-26-24(30)15-17-6-7-18-8-13-28(22(18)14-17)19-9-11-27(12-10-19)16-23(29)20-4-2-3-5-21(20)25/h2-8,13-14,19,23,29H,9-12,15-16H2,1H3,(H,26,30)
InChIKeyKUSDQXXHLZTPLH-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.44
Rot. Bonds6

About 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide

2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide (PubChem CID 154699752) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
PubChem CID154699752
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2ccn(C3CCN(CC(O)c4ccccc4F)CC3)c2c1
InChIInChI=1S/C24H28FN3O2/c1-26-24(30)15-17-6-7-18-8-13-28(22(18)14-17)19-9-11-27(12-10-19)16-23(29)20-4-2-3-5-21(20)25/h2-8,13-14,19,23,29H,9-12,15-16H2,1H3,(H,26,30)
InChIKeyKUSDQXXHLZTPLH-UHFFFAOYSA-N
XLogP3.44
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-(2-(2-Fluorophenyl)ethyl)-4-piperidinyl)-N-methyl-1H-indole-6-acetamide
CID 9908587
(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
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide
CID 57397294
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[2-(methoxyamino)-2-oxoethyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57397297
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(pyridin-4-ylmethyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57398984
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[2-[methoxy(methyl)amino]-2-oxoethyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57401397
(1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 44626374

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide (CID 154699752) is 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide is CNC(=O)Cc1ccc2ccn(C3CCN(CC(O)c4ccccc4F)CC3)c2c1.
What is the InChIKey of 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide?
The InChIKey is KUSDQXXHLZTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-26-24(30)15-17-6-7-18-8-13-28(22(18)14-17)19-9-11-27(12-10-19)16-23(29)20-4-2-3-5-21(20)25/h2-8,13-14,19,23,29H,9-12,15-16H2,1H3,(H,26,30).
What are the key properties of 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide?
2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide has a molecular weight of 409.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide is sourced from PubChem (CID 154699752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).