[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone

C23H24N4O — CID 155953233

IUPAC[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2cc(C(=O)N3CCN(Cc4cc5ccccc5[nH]4)CC3)[nH]c12
InChIInChI=1S/C23H24N4O/c1-16-5-4-7-18-14-21(25-22(16)18)23(28)27-11-9-26(10-12-27)15-19-13-17-6-2-3-8-20(17)24-19/h2-8,13-14,24-25H,9-12,15H2,1H3
InChIKeyNRQLAADGVJEWFD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.92
Rot. Bonds3

About [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone

[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone (PubChem CID 155953233) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
PubChem CID155953233
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2cc(C(=O)N3CCN(Cc4cc5ccccc5[nH]4)CC3)[nH]c12
InChIInChI=1S/C23H24N4O/c1-16-5-4-7-18-14-21(25-22(16)18)23(28)27-11-9-26(10-12-27)15-19-13-17-6-2-3-8-20(17)24-19/h2-8,13-14,24-25H,9-12,15H2,1H3
InChIKeyNRQLAADGVJEWFD-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9184656
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 166247184
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9225899
1-[4-(1H-indol-2-ylmethyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 154778740

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone (CID 155953233) is [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone is Cc1cccc2cc(C(=O)N3CCN(Cc4cc5ccccc5[nH]4)CC3)[nH]c12.
What is the InChIKey of [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone?
The InChIKey is NRQLAADGVJEWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-5-4-7-18-14-21(25-22(16)18)23(28)27-11-9-26(10-12-27)15-19-13-17-6-2-3-8-20(17)24-19/h2-8,13-14,24-25H,9-12,15H2,1H3.
What are the key properties of [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone?
[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 155953233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).