14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C24H28N6O2 — CID 142411826

IUPAC14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCN1CCC(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1
InChIInChI=1S/C24H28N6O2/c1-29-12-9-17(10-13-29)18-7-8-19-21(15-18)32-14-3-2-11-30-16-25-28-23(30)20-5-4-6-22(26-20)27-24(19)31/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,27,31)
InChIKeyOKGATJZWFPCSOX-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.57
Rot. Bonds1

About 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 142411826) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID142411826
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCN1CCC(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1
InChIInChI=1S/C24H28N6O2/c1-29-12-9-17(10-13-29)18-7-8-19-21(15-18)32-14-3-2-11-30-16-25-28-23(30)20-5-4-6-22(26-20)27-24(19)31/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,27,31)
InChIKeyOKGATJZWFPCSOX-UHFFFAOYSA-N
XLogP3.57
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 142411826) is 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is CN1CCC(c2ccc3c(c2)OCCCCn2cnnc2-c2cccc(n2)NC3=O)CC1.
What is the InChIKey of 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is OKGATJZWFPCSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-29-12-9-17(10-13-29)18-7-8-19-21(15-18)32-14-3-2-11-30-16-25-28-23(30)20-5-4-6-22(26-20)27-24(19)31/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,27,31).
What are the key properties of 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 432.53 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1-methylpiperidin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 142411826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).