8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one

C19H18N6O — CID 90407945

IUPAC8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
SMILESO=c1c2cn[nH]c2c2cnc(N3CCCCC3)nc2n1-c1ccccc1
InChIInChI=1S/C19H18N6O/c26-18-15-12-21-23-16(15)14-11-20-19(24-9-5-2-6-10-24)22-17(14)25(18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)
InChIKeySLKXXCMUIGDYMU-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.65
Rot. Bonds2

About 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one

8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one (PubChem CID 90407945) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one.

Molecular Properties

Compound Name8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
PubChem CID90407945
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
SMILESO=c1c2cn[nH]c2c2cnc(N3CCCCC3)nc2n1-c1ccccc1
InChIInChI=1S/C19H18N6O/c26-18-15-12-21-23-16(15)14-11-20-19(24-9-5-2-6-10-24)22-17(14)25(18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)
InChIKeySLKXXCMUIGDYMU-UHFFFAOYSA-N
XLogP2.65
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one?
The IUPAC name of 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one (CID 90407945) is 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one.
What is the SMILES notation for 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one?
The canonical SMILES for 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one is O=c1c2cn[nH]c2c2cnc(N3CCCCC3)nc2n1-c1ccccc1.
What is the InChIKey of 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one?
The InChIKey is SLKXXCMUIGDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-18-15-12-21-23-16(15)14-11-20-19(24-9-5-2-6-10-24)22-17(14)25(18)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23).
What are the key properties of 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one?
8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one has a molecular weight of 346.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-11-piperidin-1-yl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one is sourced from PubChem (CID 90407945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).