14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

C24H26N2O3 — CID 25265184

IUPAC14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O
InChIInChI=1S/C24H26N2O3/c1-28-20-15-18-21-19(26(24(18)27)13-12-25-10-6-3-7-11-25)14-16-8-4-5-9-17(16)22(21)23(20)29-2/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3
InChIKeyRJFAACKIMXBBMS-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.46
Rot. Bonds5

About 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (PubChem CID 25265184) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.

Molecular Properties

Compound Name14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
PubChem CID25265184
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O
InChIInChI=1S/C24H26N2O3/c1-28-20-15-18-21-19(26(24(18)27)13-12-25-10-6-3-7-11-25)14-16-8-4-5-9-17(16)22(21)23(20)29-2/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3
InChIKeyRJFAACKIMXBBMS-UHFFFAOYSA-N
XLogP4.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The IUPAC name of 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one (CID 25265184) is 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one.
What is the SMILES notation for 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The canonical SMILES for 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is COc1cc2c3c(cc4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O.
What is the InChIKey of 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
The InChIKey is RJFAACKIMXBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-20-15-18-21-19(26(24(18)27)13-12-25-10-6-3-7-11-25)14-16-8-4-5-9-17(16)22(21)23(20)29-2/h4-5,8-9,14-15H,3,6-7,10-13H2,1-2H3.
What are the key properties of 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one?
14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one has a molecular weight of 390.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dimethoxy-10-(2-piperidin-1-ylethyl)-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one is sourced from PubChem (CID 25265184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).