N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide

C46H69FN4O6 — CID 42635377

About N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide

N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide (PubChem CID 42635377) has the molecular formula C46H69FN4O6 and a molecular weight of 793.08 g/mol. Its IUPAC name is N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide.

Molecular Properties

• Compound Name: N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide
• PubChem CID: 42635377
• Molecular Formula: C46H69FN4O6
• Molecular Weight: 793.08 g/mol
• Exact Mass: 792.52
• IUPAC Name: N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide
• SMILES: CCCc1cc(-c2cc(C(=O)N3CC(C)OC(C)C3)ccc2F)c(OCCCOC)cc1C(=O)N(C(C)C)C1CCC(CCN(CC2CCOCC2)C2CC2)NC1
• InChI: InChI=1S/C46H69FN4O6/c1-7-9-35-24-42(41-25-36(10-15-43(41)47)45(52)50-28-32(4)57-33(5)29-50)44(56-21-8-20-54-6)26-40(35)46(53)51(31(2)3)39-12-11-37(48-27-39)16-19-49(38-13-14-38)30-34-17-22-55-23-18-34/h10,15,24-26,31-34,37-39,48H,7-9,11-14,16-23,27-30H2,1-6H3
• InChIKey: CPCLWPZLZWEMNP-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 92.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.08
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide?

The IUPAC name of N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide (CID 42635377) is N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide.

What is the SMILES notation for N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide?

The canonical SMILES for N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide is CCCc1cc(-c2cc(C(=O)N3CC(C)OC(C)C3)ccc2F)c(OCCCOC)cc1C(=O)N(C(C)C)C1CCC(CCN(CC2CCOCC2)C2CC2)NC1.

What is the InChIKey of N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide?

The InChIKey is CPCLWPZLZWEMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H69FN4O6/c1-7-9-35-24-42(41-25-36(10-15-43(41)47)45(52)50-28-32(4)57-33(5)29-50)44(56-21-8-20-54-6)26-40(35)46(53)51(31(2)3)39-12-11-37(48-27-39)16-19-49(38-13-14-38)30-34-17-22-55-23-18-34/h10,15,24-26,31-34,37-39,48H,7-9,11-14,16-23,27-30H2,1-6H3.

What are the key properties of N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide?

N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide has a molecular weight of 793.08 g/mol, XLogP of 7.36, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[cyclopropyl(oxan-4-ylmethyl)amino]ethyl]piperidin-3-yl]-4-[5-(2,6-dimethylmorpholine-4-carbonyl)-2-fluorophenyl]-5-(3-methoxypropoxy)-N-propan-2-yl-2-propylbenzamide is sourced from PubChem (CID 42635377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).