(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

C24H29N3O2 — CID 35894830

IUPAC(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3cc4c(C)cc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-4-29-20-7-5-19(6-8-20)16-26-9-11-27(12-10-26)24(28)23-15-21-18(3)13-17(2)14-22(21)25-23/h5-8,13-15,25H,4,9-12,16H2,1-3H3
InChIKeyAKVFPUJJVMJNQQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.14
Rot. Bonds5

About (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 35894830) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID35894830
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3cc4c(C)cc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-4-29-20-7-5-19(6-8-20)16-26-9-11-27(12-10-26)24(28)23-15-21-18(3)13-17(2)14-22(21)25-23/h5-8,13-15,25H,4,9-12,16H2,1-3H3
InChIKeyAKVFPUJJVMJNQQ-UHFFFAOYSA-N
XLogP4.14
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35788544
(3,6-dichloro-2-pyridinyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 34563260
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-methylsulfinylphenyl)methanone
CID 51278901
N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 46663449
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 34563464
1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 141331067

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 35894830) is (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is CCOc1ccc(CN2CCN(C(=O)c3cc4c(C)cc(C)cc4[nH]3)CC2)cc1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is AKVFPUJJVMJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-29-20-7-5-19(6-8-20)16-26-9-11-27(12-10-26)24(28)23-15-21-18(3)13-17(2)14-22(21)25-23/h5-8,13-15,25H,4,9-12,16H2,1-3H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35894830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).