7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine

C29H43N3O — CID 155584881

IUPAC7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine
SMILESCC1CC(OC2CCNCC2)C1.CCCC(CCC)c1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C19H24N2.C10H19NO/c1-4-6-14(7-5-2)15-8-9-16-17-13-20-11-10-18(17)21(3)19(16)12-15;1-8-6-10(7-8)12-9-2-4-11-5-3-9/h8-14H,4-7H2,1-3H3;8-11H,2-7H2,1H3
InChIKeyLFDJNXCNGBHRET-UHFFFAOYSA-N
MW449.68 g/mol
LogP6.96
Rot. Bonds7

About 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine

7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine (PubChem CID 155584881) has the molecular formula C29H43N3O and a molecular weight of 449.68 g/mol. Its IUPAC name is 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine.

Molecular Properties

Compound Name7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine
PubChem CID155584881
Molecular FormulaC29H43N3O
Molecular Weight449.68 g/mol
Exact Mass449.34
IUPAC Name7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine
SMILESCC1CC(OC2CCNCC2)C1.CCCC(CCC)c1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C19H24N2.C10H19NO/c1-4-6-14(7-5-2)15-8-9-16-17-13-20-11-10-18(17)21(3)19(16)12-15;1-8-6-10(7-8)12-9-2-4-11-5-3-9/h8-14H,4-7H2,1-3H3;8-11H,2-7H2,1H3
InChIKeyLFDJNXCNGBHRET-UHFFFAOYSA-N
XLogP6.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine?
The IUPAC name of 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine (CID 155584881) is 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine.
What is the SMILES notation for 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine?
The canonical SMILES for 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine is CC1CC(OC2CCNCC2)C1.CCCC(CCC)c1ccc2c3cnccc3n(C)c2c1.
What is the InChIKey of 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine?
The InChIKey is LFDJNXCNGBHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.C10H19NO/c1-4-6-14(7-5-2)15-8-9-16-17-13-20-11-10-18(17)21(3)19(16)12-15;1-8-6-10(7-8)12-9-2-4-11-5-3-9/h8-14H,4-7H2,1-3H3;8-11H,2-7H2,1H3.
What are the key properties of 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine?
7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine has a molecular weight of 449.68 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptan-4-yl-5-methylpyrido[4,3-b]indole;4-(3-methylcyclobutyl)oxypiperidine is sourced from PubChem (CID 155584881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).