(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone

C33H31N3O2 — CID 71295856

IUPAC(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
SMILESCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1
InChIInChI=1S/C33H31N3O2/c1-38-29-15-12-24(13-16-29)27-14-17-30-28(22-27)23-31(34-30)33(37)36-20-18-35(19-21-36)32(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,22-23,32,34H,18-21H2,1H3
InChIKeyHUNCRBLOGOGBMB-UHFFFAOYSA-N
MW501.63 g/mol
LogP6.39
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone (PubChem CID 71295856) has the molecular formula C33H31N3O2 and a molecular weight of 501.63 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
PubChem CID71295856
Molecular FormulaC33H31N3O2
Molecular Weight501.63 g/mol
Exact Mass501.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
SMILESCOc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1
InChIInChI=1S/C33H31N3O2/c1-38-29-15-12-24(13-16-29)27-14-17-30-28(22-27)23-31(34-30)33(37)36-20-18-35(19-21-36)32(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,22-23,32,34H,18-21H2,1H3
InChIKeyHUNCRBLOGOGBMB-UHFFFAOYSA-N
XLogP6.39
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone (CID 71295856) is (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone is COc1ccc(-c2ccc3[nH]c(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3c2)cc1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone?
The InChIKey is HUNCRBLOGOGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O2/c1-38-29-15-12-24(13-16-29)27-14-17-30-28(22-27)23-31(34-30)33(37)36-20-18-35(19-21-36)32(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-17,22-23,32,34H,18-21H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone has a molecular weight of 501.63 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 71295856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).