2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C25H29N3O — CID 110637911

IUPAC2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C25H29N3O/c29-24(18-20-19-26-23-11-5-4-10-22(20)23)27-16-12-25(13-17-27,28-14-6-7-15-28)21-8-2-1-3-9-21/h1-5,8-11,19,26H,6-7,12-18H2
InChIKeyCAHSFXGQDAXUBN-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.32
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 110637911) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID110637911
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C25H29N3O/c29-24(18-20-19-26-23-11-5-4-10-22(20)23)27-16-12-25(13-17-27,28-14-6-7-15-28)21-8-2-1-3-9-21/h1-5,8-11,19,26H,6-7,12-18H2
InChIKeyCAHSFXGQDAXUBN-UHFFFAOYSA-N
XLogP4.32
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-[2-(azetidin-1-yl)-2-oxoethyl]-1H-quinolin-4-one
CID 166302710
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 110637911) is 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCC(c2ccccc2)(N2CCCC2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is CAHSFXGQDAXUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-24(18-20-19-26-23-11-5-4-10-22(20)23)27-16-12-25(13-17-27,28-14-6-7-15-28)21-8-2-1-3-9-21/h1-5,8-11,19,26H,6-7,12-18H2.
What are the key properties of 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 387.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110637911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).