3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

C22H25N3O — CID 71899042

IUPAC3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCn2ccc3ccccc32)C(c2ccccc2)C1
InChIInChI=1S/C22H25N3O/c1-23-15-16-25(21(17-23)18-7-3-2-4-8-18)22(26)12-14-24-13-11-19-9-5-6-10-20(19)24/h2-11,13,21H,12,14-17H2,1H3
InChIKeyFJOMJDXEEXPXBC-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.55
Rot. Bonds4

About 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one

3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (PubChem CID 71899042) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
PubChem CID71899042
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCn2ccc3ccccc32)C(c2ccccc2)C1
InChIInChI=1S/C22H25N3O/c1-23-15-16-25(21(17-23)18-7-3-2-4-8-18)22(26)12-14-24-13-11-19-9-5-6-10-20(19)24/h2-11,13,21H,12,14-17H2,1H3
InChIKeyFJOMJDXEEXPXBC-UHFFFAOYSA-N
XLogP3.55
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 51266720
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95585123
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
6-bromo-3-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 55509282
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 42920231

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one (CID 71899042) is 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCn2ccc3ccccc32)C(c2ccccc2)C1.
What is the InChIKey of 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is FJOMJDXEEXPXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-23-15-16-25(21(17-23)18-7-3-2-4-8-18)22(26)12-14-24-13-11-19-9-5-6-10-20(19)24/h2-11,13,21H,12,14-17H2,1H3.
What are the key properties of 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one?
3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 71899042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).