[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone

C23H31N3O2 — CID 57403139

IUPAC[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone
SMILESCn1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCOCC1)CC2
InChIInChI=1S/C23H31N3O2/c1-24-21-6-5-17(23(27)25-10-3-2-4-11-25)15-19(21)20-16-26(12-7-22(20)24)18-8-13-28-14-9-18/h5-6,15,18H,2-4,7-14,16H2,1H3
InChIKeyAWPMNXJSXFCGSV-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.34
Rot. Bonds2

About [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone

[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone (PubChem CID 57403139) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone
PubChem CID57403139
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone
SMILESCn1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCOCC1)CC2
InChIInChI=1S/C23H31N3O2/c1-24-21-6-5-17(23(27)25-10-3-2-4-11-25)15-19(21)20-16-26(12-7-22(20)24)18-8-13-28-14-9-18/h5-6,15,18H,2-4,7-14,16H2,1H3
InChIKeyAWPMNXJSXFCGSV-UHFFFAOYSA-N
XLogP3.34
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone (CID 57403139) is [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone is Cn1c2c(c3cc(C(=O)N4CCCCC4)ccc31)CN(C1CCOCC1)CC2.
What is the InChIKey of [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone?
The InChIKey is AWPMNXJSXFCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-24-21-6-5-17(23(27)25-10-3-2-4-11-25)15-19(21)20-16-26(12-7-22(20)24)18-8-13-28-14-9-18/h5-6,15,18H,2-4,7-14,16H2,1H3.
What are the key properties of [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone?
[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone has a molecular weight of 381.52 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 57403139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).