3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide

C28H28N4O2 — CID 46391982

IUPAC3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)[nH]c3ccccc23)c1
InChIInChI=1S/C28H28N4O2/c1-19-7-5-9-21(17-19)27(33)30-25-23-11-3-4-12-24(23)29-26(25)28(34)32-15-13-31(14-16-32)22-10-6-8-20(2)18-22/h3-12,17-18,29H,13-16H2,1-2H3,(H,30,33)
InChIKeyCRAWKZLHVITDSD-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.00
Rot. Bonds4

About 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide

3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide (PubChem CID 46391982) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
PubChem CID46391982
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)[nH]c3ccccc23)c1
InChIInChI=1S/C28H28N4O2/c1-19-7-5-9-21(17-19)27(33)30-25-23-11-3-4-12-24(23)29-26(25)28(34)32-15-13-31(14-16-32)22-10-6-8-20(2)18-22/h3-12,17-18,29H,13-16H2,1-2H3,(H,30,33)
InChIKeyCRAWKZLHVITDSD-UHFFFAOYSA-N
XLogP5.00
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
CID 46391981
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
CID 46391845
N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 171141615
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 53013364
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391888
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide (CID 46391982) is 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide is Cc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4cccc(C)c4)CC3)[nH]c3ccccc23)c1.
What is the InChIKey of 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide?
The InChIKey is CRAWKZLHVITDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-7-5-9-21(17-19)27(33)30-25-23-11-3-4-12-24(23)29-26(25)28(34)32-15-13-31(14-16-32)22-10-6-8-20(2)18-22/h3-12,17-18,29H,13-16H2,1-2H3,(H,30,33).
What are the key properties of 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide?
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide is sourced from PubChem (CID 46391982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).