1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole

C19H29N3O — CID 170864406

IUPAC1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCOCCn1cc(CCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-20-10-12-21(13-11-20)9-5-6-17-16-22(14-15-23-2)19-8-4-3-7-18(17)19/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyGREWUIIUNXYEOC-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.47
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole

1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864406) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864406
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCOCCn1cc(CCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H29N3O/c1-20-10-12-21(13-11-20)9-5-6-17-16-22(14-15-23-2)19-8-4-3-7-18(17)19/h3-4,7-8,16H,5-6,9-15H2,1-2H3
InChIKeyGREWUIIUNXYEOC-UHFFFAOYSA-N
XLogP2.47
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 170864386
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-methoxyethyl)indol-3-yl]butanamide
CID 71704377
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-[[1-(2-methoxyethyl)indol-3-yl]methyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673153
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404
1-ethyl-3-[4-(4-phenylpiperidin-1-yl)butyl]indole
CID 70547247
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864406) is 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole is COCCn1cc(CCCN2CCN(C)CC2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is GREWUIIUNXYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20-10-12-21(13-11-20)9-5-6-17-16-22(14-15-23-2)19-8-4-3-7-18(17)19/h3-4,7-8,16H,5-6,9-15H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 315.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).