13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

C23H25N3O2 — CID 71076708

IUPAC13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c12
InChIInChI=1S/C23H25N3O2/c1-15-14-24-23(27)21-20-18-7-6-17(28-12-11-26-9-3-2-4-10-26)13-16(18)5-8-19(20)25-22(15)21/h5-8,13-14,25H,2-4,9-12H2,1H3,(H,24,27)
InChIKeyONJMNOASLKCPIX-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.34
Rot. Bonds4

About 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one

13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (PubChem CID 71076708) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
PubChem CID71076708
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c12
InChIInChI=1S/C23H25N3O2/c1-15-14-24-23(27)21-20-18-7-6-17(28-12-11-26-9-3-2-4-10-26)13-16(18)5-8-19(20)25-22(15)21/h5-8,13-14,25H,2-4,9-12H2,1H3,(H,24,27)
InChIKeyONJMNOASLKCPIX-UHFFFAOYSA-N
XLogP4.34
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The IUPAC name of 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one (CID 71076708) is 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The canonical SMILES for 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c12.
What is the InChIKey of 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
The InChIKey is ONJMNOASLKCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-14-24-23(27)21-20-18-7-6-17(28-12-11-26-9-3-2-4-10-26)13-16(18)5-8-19(20)25-22(15)21/h5-8,13-14,25H,2-4,9-12H2,1H3,(H,24,27).
What are the key properties of 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one?
13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one has a molecular weight of 375.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-5-(2-piperidin-1-ylethoxy)-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 71076708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).