5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole

C24H37N3 — CID 155559147

IUPAC5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CN1CCCCC1)cn2CCCCN1CCCCC1
InChIInChI=1S/C24H37N3/c1-21-10-11-24-23(18-21)22(19-26-15-6-3-7-16-26)20-27(24)17-9-8-14-25-12-4-2-5-13-25/h10-11,18,20H,2-9,12-17,19H2,1H3
InChIKeyNPAFSQURVIFYKN-UHFFFAOYSA-N
MW367.58 g/mol
LogP5.20
Rot. Bonds7

About 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole

5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole (PubChem CID 155559147) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
PubChem CID155559147
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CN1CCCCC1)cn2CCCCN1CCCCC1
InChIInChI=1S/C24H37N3/c1-21-10-11-24-23(18-21)22(19-26-15-6-3-7-16-26)20-27(24)17-9-8-14-25-12-4-2-5-13-25/h10-11,18,20H,2-9,12-17,19H2,1H3
InChIKeyNPAFSQURVIFYKN-UHFFFAOYSA-N
XLogP5.20
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
CID 132510881
5-fluoro-1-octyl-3-(piperidin-1-ylmethyl)indole
CID 50916158
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
5-fluoro-1-octyl-3-(pyrrolidin-1-ylmethyl)indole
CID 50916342
5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole
CID 174663765
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole (CID 155559147) is 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole is Cc1ccc2c(c1)c(CN1CCCCC1)cn2CCCCN1CCCCC1.
What is the InChIKey of 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole?
The InChIKey is NPAFSQURVIFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-21-10-11-24-23(18-21)22(19-26-15-6-3-7-16-26)20-27(24)17-9-8-14-25-12-4-2-5-13-25/h10-11,18,20H,2-9,12-17,19H2,1H3.
What are the key properties of 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole?
5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole has a molecular weight of 367.58 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 155559147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).