N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

C29H42N6O2 — CID 169009110

About N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 169009110) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
• PubChem CID: 169009110
• Molecular Formula: C29H42N6O2
• Molecular Weight: 506.70 g/mol
• Exact Mass: 506.34
• IUPAC Name: N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
• SMILES: CCC(=O)NC1CCC(CCN2CCN(c3cc(-c4ccccn4)cc(N4CCOCC4)n3)CC2)CC1
• InChI: InChI=1S/C29H42N6O2/c1-2-29(36)31-25-8-6-23(7-9-25)10-12-33-13-15-34(16-14-33)27-21-24(26-5-3-4-11-30-26)22-28(32-27)35-17-19-37-20-18-35/h3-5,11,21-23,25H,2,6-10,12-20H2,1H3,(H,31,36)
• InChIKey: CJBLPDQZZPOWKQ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.70
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?

The IUPAC name of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 169009110) is N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

What is the SMILES notation for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?

The canonical SMILES for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is CCC(=O)NC1CCC(CCN2CCN(c3cc(-c4ccccn4)cc(N4CCOCC4)n3)CC2)CC1.

What is the InChIKey of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?

The InChIKey is CJBLPDQZZPOWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O2/c1-2-29(36)31-25-8-6-23(7-9-25)10-12-33-13-15-34(16-14-33)27-21-24(26-5-3-4-11-30-26)22-28(32-27)35-17-19-37-20-18-35/h3-5,11,21-23,25H,2,6-10,12-20H2,1H3,(H,31,36).

What are the key properties of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?

N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 506.70 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 169009110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).