2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone

C23H25N3O — CID 164971057

IUPAC2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1
InChIInChI=1S/C23H25N3O/c27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22/h1-8,19H,9-16H2
InChIKeyYEDZUVONUDQNKN-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone

2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone (PubChem CID 164971057) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone
PubChem CID164971057
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1
InChIInChI=1S/C23H25N3O/c27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22/h1-8,19H,9-16H2
InChIKeyYEDZUVONUDQNKN-UHFFFAOYSA-N
XLogP3.54
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
CID 142616895
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 167107047
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
CID 110803487
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
1-(4-cyclopropylphenyl)propan-2-one;2-(4-cyclopropylphenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;3-piperazin-1-yl-6-(trifluoromethyl)pyridazine
CID 164965524
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone (CID 164971057) is 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone is O=C(Cc1ccc(C2CC2)cc1)N1CCN(C2=Nc3ccccc3C2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is YEDZUVONUDQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(15-17-5-7-18(8-6-17)19-9-10-19)26-13-11-25(12-14-26)22-16-20-3-1-2-4-21(20)24-22/h1-8,19H,9-16H2.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone?
2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 164971057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).