1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C25H24N4O — CID 8548729

IUPAC1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H24N4O/c30-22(18-28-14-16-29(17-15-28)23-12-6-7-13-26-23)24-20-10-4-5-11-21(20)27-25(24)19-8-2-1-3-9-19/h1-13,27H,14-18H2
InChIKeyVEEVZGOWPRVDSW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 8548729) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID8548729
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H24N4O/c30-22(18-28-14-16-29(17-15-28)23-12-6-7-13-26-23)24-20-10-4-5-11-21(20)27-25(24)19-8-2-1-3-9-19/h1-13,27H,14-18H2
InChIKeyVEEVZGOWPRVDSW-UHFFFAOYSA-N
XLogP4.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219792
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55506676
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 8548729) is 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VEEVZGOWPRVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-22(18-28-14-16-29(17-15-28)23-12-6-7-13-26-23)24-20-10-4-5-11-21(20)27-25(24)19-8-2-1-3-9-19/h1-13,27H,14-18H2.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 396.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 8548729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).