2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide

C25H29N3O2 — CID 87017632

IUPAC2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCC(CC(N)=O)CC2)c2ccccc21
InChIInChI=1S/C25H29N3O2/c1-2-28-21-11-7-6-10-20(21)24(25(28)19-8-4-3-5-9-19)22(29)17-27-14-12-18(13-15-27)16-23(26)30/h3-11,18H,2,12-17H2,1H3,(H2,26,30)
InChIKeyYNHNYDLLIRLBMU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.10
Rot. Bonds7

About 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide

2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 87017632) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
PubChem CID87017632
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCC(CC(N)=O)CC2)c2ccccc21
InChIInChI=1S/C25H29N3O2/c1-2-28-21-11-7-6-10-20(21)24(25(28)19-8-4-3-5-9-19)22(29)17-27-14-12-18(13-15-27)16-23(26)30/h3-11,18H,2,12-17H2,1H3,(H2,26,30)
InChIKeyYNHNYDLLIRLBMU-UHFFFAOYSA-N
XLogP4.10
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2406607
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 4852617
2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3295430
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 4836979
1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7681379
N'-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethoxy]-3-methoxypropanimidamide
CID 72684363
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 75461619
1-(1-ethyl-2-phenylindol-3-yl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 2108508
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
CID 70106637

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide (CID 87017632) is 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide is CCn1c(-c2ccccc2)c(C(=O)CN2CCC(CC(N)=O)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The InChIKey is YNHNYDLLIRLBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-28-21-11-7-6-10-20(21)24(25(28)19-8-4-3-5-9-19)22(29)17-27-14-12-18(13-15-27)16-23(26)30/h3-11,18H,2,12-17H2,1H3,(H2,26,30).
What are the key properties of 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 87017632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).