(11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C29H36N4O3 — CID 92737626

About (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737626) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737626
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1C1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C29H36N4O3/c1-29(28(35)30-22-10-6-3-7-11-22)20-32-24-14-17-36-26(24)18-25(32)27(34)33(29)23-12-15-31(16-13-23)19-21-8-4-2-5-9-21/h2,4-5,8-9,14,17-18,22-23H,3,6-7,10-13,15-16,19-20H2,1H3,(H,30,35)/t29-/m1/s1
• InChIKey: XEBLZYQJJYVDKK-GDLZYMKVSA-N
• XLogP: 4.56
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737626) is (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is XEBLZYQJJYVDKK-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-29(28(35)30-22-10-6-3-7-11-22)20-32-24-14-17-36-26(24)18-25(32)27(34)33(29)23-12-15-31(16-13-23)19-21-8-4-2-5-9-21/h2,4-5,8-9,14,17-18,22-23H,3,6-7,10-13,15-16,19-20H2,1H3,(H,30,35)/t29-/m1/s1.

What are the key properties of (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92737626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).