N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide

C34H33FN4O — CID 155511430

IUPACN-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide
SMILESCn1cc(CN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2cc(C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C34H33FN4O/c1-37-23-29(32-21-28(11-16-33(32)37)34(40)36-31-14-12-30(35)13-15-31)24-39-19-17-38(18-20-39)22-25-7-9-27(10-8-25)26-5-3-2-4-6-26/h2-16,21,23H,17-20,22,24H2,1H3,(H,36,40)
InChIKeyQJALMCWGVTYJCN-UHFFFAOYSA-N
MW532.66 g/mol
LogP6.55
Rot. Bonds7

About N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide

N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide (PubChem CID 155511430) has the molecular formula C34H33FN4O and a molecular weight of 532.66 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide
PubChem CID155511430
Molecular FormulaC34H33FN4O
Molecular Weight532.66 g/mol
Exact Mass532.26
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide
SMILESCn1cc(CN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2cc(C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C34H33FN4O/c1-37-23-29(32-21-28(11-16-33(32)37)34(40)36-31-14-12-30(35)13-15-31)24-39-19-17-38(18-20-39)22-25-7-9-27(10-8-25)26-5-3-2-4-6-26/h2-16,21,23H,17-20,22,24H2,1H3,(H,36,40)
InChIKeyQJALMCWGVTYJCN-UHFFFAOYSA-N
XLogP6.55
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide (CID 155511430) is N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide is Cn1cc(CN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2cc(C(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide?
The InChIKey is QJALMCWGVTYJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN4O/c1-37-23-29(32-21-28(11-16-33(32)37)34(40)36-31-14-12-30(35)13-15-31)24-39-19-17-38(18-20-39)22-25-7-9-27(10-8-25)26-5-3-2-4-6-26/h2-16,21,23H,17-20,22,24H2,1H3,(H,36,40).
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide?
N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide has a molecular weight of 532.66 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]indole-5-carboxamide is sourced from PubChem (CID 155511430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).