3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

C20H22N4O — CID 9255042

IUPAC3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(8-12-23-11-7-17-3-1-2-4-19(17)23)24-15-13-22(14-16-24)18-5-9-21-10-6-18/h1-7,9-11H,8,12-16H2
InChIKeyUZNLMTOBJKWQBC-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.78
Rot. Bonds4

About 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 9255042) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID9255042
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCn1ccc2ccccc21)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(8-12-23-11-7-17-3-1-2-4-19(17)23)24-15-13-22(14-16-24)18-5-9-21-10-6-18/h1-7,9-11H,8,12-16H2
InChIKeyUZNLMTOBJKWQBC-UHFFFAOYSA-N
XLogP2.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 126778929
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
1-(4-benzoyl-1,4-diazepan-1-yl)-3-indol-1-ylpropan-1-one
CID 36615779
6-(3-indol-1-ylpropanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174857
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
4-[4-(3-indol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27330276
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (CID 9255042) is 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is O=C(CCn1ccc2ccccc21)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is UZNLMTOBJKWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(8-12-23-11-7-17-3-1-2-4-19(17)23)24-15-13-22(14-16-24)18-5-9-21-10-6-18/h1-7,9-11H,8,12-16H2.
What are the key properties of 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 9255042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).