2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide

C30H38N8O3 — CID 170450931

About 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide

2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 170450931) has the molecular formula C30H38N8O3 and a molecular weight of 558.69 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide
• PubChem CID: 170450931
• Molecular Formula: C30H38N8O3
• Molecular Weight: 558.69 g/mol
• Exact Mass: 558.31
• IUPAC Name: 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)CC4CC4)CC3)nc2)c2c3cn[nH]c3nn2c1
• InChI: InChI=1S/C30H38N8O3/c1-2-41-23-16-24(28-25-18-32-34-29(25)35-38(28)19-23)22-5-6-26(31-17-22)37-9-7-30(8-10-37,20-36-11-13-40-14-12-36)33-27(39)15-21-3-4-21/h5-6,16-19,21H,2-4,7-15,20H2,1H3,(H,33,39)(H,34,35)
• InChIKey: ZMPMSDQIJDHQSB-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 112.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.69
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide (CID 170450931) is 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide is CCOc1cc(-c2ccc(N3CCC(CN4CCOCC4)(NC(=O)CC4CC4)CC3)nc2)c2c3cn[nH]c3nn2c1.

What is the InChIKey of 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide?

The InChIKey is ZMPMSDQIJDHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O3/c1-2-41-23-16-24(28-25-18-32-34-29(25)35-38(28)19-23)22-5-6-26(31-17-22)37-9-7-30(8-10-37,20-36-11-13-40-14-12-36)33-27(39)15-21-3-4-21/h5-6,16-19,21H,2-4,7-15,20H2,1H3,(H,33,39)(H,34,35).

What are the key properties of 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide?

2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 558.69 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 170450931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).