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

C24H31N3 — CID 170864392

IUPAC1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCc1cccc(Cn2cc(CCCN3CCN(C)CC3)c3ccccc32)c1
InChIInChI=1S/C24H31N3/c1-20-7-5-8-21(17-20)18-27-19-22(23-10-3-4-11-24(23)27)9-6-12-26-15-13-25(2)14-16-26/h3-5,7-8,10-11,17,19H,6,9,12-16,18H2,1-2H3
InChIKeyHZFAIJSSVXAOQN-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.18
Rot. Bonds6

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

1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864392) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864392
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCc1cccc(Cn2cc(CCCN3CCN(C)CC3)c3ccccc32)c1
InChIInChI=1S/C24H31N3/c1-20-7-5-8-21(17-20)18-27-19-22(23-10-3-4-11-24(23)27)9-6-12-26-15-13-25(2)14-16-26/h3-5,7-8,10-11,17,19H,6,9,12-16,18H2,1-2H3
InChIKeyHZFAIJSSVXAOQN-UHFFFAOYSA-N
XLogP4.18
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole with MolForge

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Related Compounds

3-[3-(4-methylpiperazin-1-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 170864386
1-[(4-fluorophenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864377
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
1-[(3,5-difluorophenyl)methyl]-3-(3-piperazin-1-ylpropyl)indole
CID 170868364
N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
CID 164781427
2-ethylfuran;4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanal
CID 154688061
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]prop-2-en-1-amine
CID 119027434
N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
CID 124794918
4-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 18973523
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
(2S)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylamino]butan-1-ol
CID 124801826
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 124799232

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864392) is 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole is Cc1cccc(Cn2cc(CCCN3CCN(C)CC3)c3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is HZFAIJSSVXAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-20-7-5-8-21(17-20)18-27-19-22(23-10-3-4-11-24(23)27)9-6-12-26-15-13-25(2)14-16-26/h3-5,7-8,10-11,17,19H,6,9,12-16,18H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 361.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).