15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one

C32H38N4O3 — CID 110066020

IUPAC15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one
SMILESCN1CCC(CC(=O)N2CCOc3ccc(-c4cccnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)CC1
InChIInChI=1S/C32H38N4O3/c1-34-13-10-24(11-14-34)21-31(37)36-16-15-35(2)32(38)27-6-3-5-25(19-27)20-29-22-26(28-7-4-12-33-23-28)8-9-30(29)39-18-17-36/h3-9,12,19,22-24H,10-11,13-18,20-21H2,1-2H3
InChIKeyIBHAMPIWSSUCPO-UHFFFAOYSA-N
MW526.68 g/mol
LogP4.36
Rot. Bonds3

About 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one

15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one (PubChem CID 110066020) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one.

Molecular Properties

Compound Name15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one
PubChem CID110066020
Molecular FormulaC32H38N4O3
Molecular Weight526.68 g/mol
Exact Mass526.29
IUPAC Name15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one
SMILESCN1CCC(CC(=O)N2CCOc3ccc(-c4cccnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)CC1
InChIInChI=1S/C32H38N4O3/c1-34-13-10-24(11-14-34)21-31(37)36-16-15-35(2)32(38)27-6-3-5-25(19-27)20-29-22-26(28-7-4-12-33-23-28)8-9-30(29)39-18-17-36/h3-9,12,19,22-24H,10-11,13-18,20-21H2,1-2H3
InChIKeyIBHAMPIWSSUCPO-UHFFFAOYSA-N
XLogP4.36
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.68
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one?
The IUPAC name of 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one (CID 110066020) is 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one.
What is the SMILES notation for 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one?
The canonical SMILES for 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one is CN1CCC(CC(=O)N2CCOc3ccc(-c4cccnc4)cc3Cc3cccc(c3)C(=O)N(C)CC2)CC1.
What is the InChIKey of 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one?
The InChIKey is IBHAMPIWSSUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3/c1-34-13-10-24(11-14-34)21-31(37)36-16-15-35(2)32(38)27-6-3-5-25(19-27)20-29-22-26(28-7-4-12-33-23-28)8-9-30(29)39-18-17-36/h3-9,12,19,22-24H,10-11,13-18,20-21H2,1-2H3.
What are the key properties of 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one?
15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one has a molecular weight of 526.68 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-12-[2-(1-methylpiperidin-4-yl)acetyl]-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one is sourced from PubChem (CID 110066020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).