[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C29H31N3O — CID 92675302

IUPAC[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C29H31N3O/c33-29(31-21-19-30(20-22-31)17-6-9-24-7-2-1-3-8-24)27-14-12-25(13-15-27)23-32-18-16-26-10-4-5-11-28(26)32/h1-15H,16-23H2/b9-6+
InChIKeyARUVLLIGUYAGEV-RMKNXTFCSA-N
MW437.59 g/mol
LogP4.72
Rot. Bonds6

About [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 92675302) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID92675302
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C29H31N3O/c33-29(31-21-19-30(20-22-31)17-6-9-24-7-2-1-3-8-24)27-14-12-25(13-15-27)23-32-18-16-26-10-4-5-11-28(26)32/h1-15H,16-23H2/b9-6+
InChIKeyARUVLLIGUYAGEV-RMKNXTFCSA-N
XLogP4.72
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 169326396
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 92675302) is [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is ARUVLLIGUYAGEV-RMKNXTFCSA-N. The full InChI is InChI=1S/C29H31N3O/c33-29(31-21-19-30(20-22-31)17-6-9-24-7-2-1-3-8-24)27-14-12-25(13-15-27)23-32-18-16-26-10-4-5-11-28(26)32/h1-15H,16-23H2/b9-6+.
What are the key properties of [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 437.59 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92675302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).