1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C22H25N3O — CID 46662835

IUPAC1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(C)C(=O)c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N3O/c1-16-6-5-7-18(14-16)25-12-10-24(11-13-25)17(2)22(26)20-15-23-21-9-4-3-8-19(20)21/h3-9,14-15,17,23H,10-13H2,1-2H3
InChIKeyDOQWSDBXXLBZJD-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.87
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 46662835) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID46662835
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(C)C(=O)c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N3O/c1-16-6-5-7-18(14-16)25-12-10-24(11-13-25)17(2)22(26)20-15-23-21-9-4-3-8-19(20)21/h3-9,14-15,17,23H,10-13H2,1-2H3
InChIKeyDOQWSDBXXLBZJD-UHFFFAOYSA-N
XLogP3.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 46662835) is 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(C)C(=O)c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is DOQWSDBXXLBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-6-5-7-18(14-16)25-12-10-24(11-13-25)17(2)22(26)20-15-23-21-9-4-3-8-19(20)21/h3-9,14-15,17,23H,10-13H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46662835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).