3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one

C25H33N3O2 — CID 110064519

IUPAC3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
SMILESCN1CCC(N2CCCOc3ccccc3C(=O)N(C)Cc3cccc(c3)C2)CC1
InChIInChI=1S/C25H33N3O2/c1-26-14-11-22(12-15-26)28-13-6-16-30-24-10-4-3-9-23(24)25(29)27(2)18-20-7-5-8-21(17-20)19-28/h3-5,7-10,17,22H,6,11-16,18-19H2,1-2H3
InChIKeyUQGOEFJMPKPHKC-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.64
Rot. Bonds1

About 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one

3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one (PubChem CID 110064519) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one.

Molecular Properties

Compound Name3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
PubChem CID110064519
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one
SMILESCN1CCC(N2CCCOc3ccccc3C(=O)N(C)Cc3cccc(c3)C2)CC1
InChIInChI=1S/C25H33N3O2/c1-26-14-11-22(12-15-26)28-13-6-16-30-24-10-4-3-9-23(24)25(29)27(2)18-20-7-5-8-21(17-20)19-28/h3-5,7-10,17,22H,6,11-16,18-19H2,1-2H3
InChIKeyUQGOEFJMPKPHKC-UHFFFAOYSA-N
XLogP3.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The IUPAC name of 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one (CID 110064519) is 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one.
What is the SMILES notation for 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The canonical SMILES for 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one is CN1CCC(N2CCCOc3ccccc3C(=O)N(C)Cc3cccc(c3)C2)CC1.
What is the InChIKey of 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
The InChIKey is UQGOEFJMPKPHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-26-14-11-22(12-15-26)28-13-6-16-30-24-10-4-3-9-23(24)25(29)27(2)18-20-7-5-8-21(17-20)19-28/h3-5,7-10,17,22H,6,11-16,18-19H2,1-2H3.
What are the key properties of 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one?
3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one has a molecular weight of 407.56 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-15-(1-methylpiperidin-4-yl)-11-oxa-3,15-diazatricyclo[15.3.1.05,10]henicosa-1(21),5,7,9,17,19-hexaen-4-one is sourced from PubChem (CID 110064519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).