7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole

C19H29N3 — CID 170864404

IUPAC7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCc1cccc2c(CCCN3CCN(C)CC3)cn(C)c12
InChIInChI=1S/C19H29N3/c1-4-16-7-5-9-18-17(15-21(3)19(16)18)8-6-10-22-13-11-20(2)12-14-22/h5,7,9,15H,4,6,8,10-14H2,1-3H3
InChIKeyMKUQRSBICJPKEO-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.92
Rot. Bonds5

About 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole

7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864404) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864404
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCc1cccc2c(CCCN3CCN(C)CC3)cn(C)c12
InChIInChI=1S/C19H29N3/c1-4-16-7-5-9-18-17(15-21(3)19(16)18)8-6-10-22-13-11-20(2)12-14-22/h5,7,9,15H,4,6,8,10-14H2,1-3H3
InChIKeyMKUQRSBICJPKEO-UHFFFAOYSA-N
XLogP2.92
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
CID 96673085
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83947882
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
2-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonic acid
CID 170862354
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864404) is 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole is CCc1cccc2c(CCCN3CCN(C)CC3)cn(C)c12.
What is the InChIKey of 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is MKUQRSBICJPKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-16-7-5-9-18-17(15-21(3)19(16)18)8-6-10-22-13-11-20(2)12-14-22/h5,7,9,15H,4,6,8,10-14H2,1-3H3.
What are the key properties of 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 299.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).