cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone

C28H40N2O2 — CID 58967556

IUPACcyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone
SMILESCCCCCC1CC2CCC(C1)N2CCCn1cc(C(=O)C2CC2)c2cccc(OC)c21
InChIInChI=1S/C28H40N2O2/c1-3-4-5-8-20-17-22-13-14-23(18-20)30(22)16-7-15-29-19-25(28(31)21-11-12-21)24-9-6-10-26(32-2)27(24)29/h6,9-10,19-23H,3-5,7-8,11-18H2,1-2H3
InChIKeyNVJTZTCAYPWYHJ-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.46
Rot. Bonds11

About cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone

cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone (PubChem CID 58967556) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone
PubChem CID58967556
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Namecyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone
SMILESCCCCCC1CC2CCC(C1)N2CCCn1cc(C(=O)C2CC2)c2cccc(OC)c21
InChIInChI=1S/C28H40N2O2/c1-3-4-5-8-20-17-22-13-14-23(18-20)30(22)16-7-15-29-19-25(28(31)21-11-12-21)24-9-6-10-26(32-2)27(24)29/h6,9-10,19-23H,3-5,7-8,11-18H2,1-2H3
InChIKeyNVJTZTCAYPWYHJ-UHFFFAOYSA-N
XLogP6.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone?
The IUPAC name of cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone (CID 58967556) is cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone is CCCCCC1CC2CCC(C1)N2CCCn1cc(C(=O)C2CC2)c2cccc(OC)c21.
What is the InChIKey of cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone?
The InChIKey is NVJTZTCAYPWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-3-4-5-8-20-17-22-13-14-23(18-20)30(22)16-7-15-29-19-25(28(31)21-11-12-21)24-9-6-10-26(32-2)27(24)29/h6,9-10,19-23H,3-5,7-8,11-18H2,1-2H3.
What are the key properties of cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone?
cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone has a molecular weight of 436.64 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone is sourced from PubChem (CID 58967556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).