5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H32N4 — CID 70261579

IUPAC5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCC2=CCCC=N2)CCN(C2CCNCC2)C1
InChIInChI=1S/C24H32N4/c1-18-5-6-23-21(16-18)22-17-27(20-7-12-25-13-8-20)14-10-24(22)28(23)15-9-19-4-2-3-11-26-19/h4-6,11,16,20,25H,2-3,7-10,12-15,17H2,1H3
InChIKeyZALODCXXINJDAY-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.20
Rot. Bonds4

About 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 70261579) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID70261579
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2CCC2=CCCC=N2)CCN(C2CCNCC2)C1
InChIInChI=1S/C24H32N4/c1-18-5-6-23-21(16-18)22-17-27(20-7-12-25-13-8-20)14-10-24(22)28(23)15-9-19-4-2-3-11-26-19/h4-6,11,16,20,25H,2-3,7-10,12-15,17H2,1H3
InChIKeyZALODCXXINJDAY-UHFFFAOYSA-N
XLogP4.20
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 70261579) is 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2CCC2=CCCC=N2)CCN(C2CCNCC2)C1.
What is the InChIKey of 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ZALODCXXINJDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-18-5-6-23-21(16-18)22-17-27(20-7-12-25-13-8-20)14-10-24(22)28(23)15-9-19-4-2-3-11-26-19/h4-6,11,16,20,25H,2-3,7-10,12-15,17H2,1H3.
What are the key properties of 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 376.55 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydropyridin-6-yl)ethyl]-8-methyl-2-piperidin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 70261579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).