5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole

C20H31N3O — CID 170864106

IUPAC5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
SMILESCOc1ccc2c(c1)c(CCCN1CCN(C)CC1)cn2C(C)C
InChIInChI=1S/C20H31N3O/c1-16(2)23-15-17(19-14-18(24-4)7-8-20(19)23)6-5-9-22-12-10-21(3)11-13-22/h7-8,14-16H,5-6,9-13H2,1-4H3
InChIKeyUHAPKPWUGAAFHV-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.41
Rot. Bonds6

About 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole

5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole (PubChem CID 170864106) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
PubChem CID170864106
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
SMILESCOc1ccc2c(c1)c(CCCN1CCN(C)CC1)cn2C(C)C
InChIInChI=1S/C20H31N3O/c1-16(2)23-15-17(19-14-18(24-4)7-8-20(19)23)6-5-9-22-12-10-21(3)11-13-22/h7-8,14-16H,5-6,9-13H2,1-4H3
InChIKeyUHAPKPWUGAAFHV-UHFFFAOYSA-N
XLogP3.41
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole?
The IUPAC name of 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole (CID 170864106) is 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole.
What is the SMILES notation for 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole?
The canonical SMILES for 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole is COc1ccc2c(c1)c(CCCN1CCN(C)CC1)cn2C(C)C.
What is the InChIKey of 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole?
The InChIKey is UHAPKPWUGAAFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)23-15-17(19-14-18(24-4)7-8-20(19)23)6-5-9-22-12-10-21(3)11-13-22/h7-8,14-16H,5-6,9-13H2,1-4H3.
What are the key properties of 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole?
5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole has a molecular weight of 329.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole is sourced from PubChem (CID 170864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).