N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

C30H38F2N4O3 — CID 66625980

About N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 66625980) has the molecular formula C30H38F2N4O3 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
• PubChem CID: 66625980
• Molecular Formula: C30H38F2N4O3
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.29
• IUPAC Name: N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide
• SMILES: O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1)c1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C30H38F2N4O3/c31-24-4-7-26(27(32)19-24)29(37)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)34-30(38)23-3-8-28(33-20-23)36-15-17-39-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,34,38)
• InChIKey: WVAPORGJOORKLK-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 66625980) is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1)c1ccc(N2CCOCC2)nc1.

What is the InChIKey of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The InChIKey is WVAPORGJOORKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N4O3/c31-24-4-7-26(27(32)19-24)29(37)22-10-13-35(14-11-22)12-9-21-1-5-25(6-2-21)34-30(38)23-3-8-28(33-20-23)36-15-17-39-18-16-36/h3-4,7-8,19-22,25H,1-2,5-6,9-18H2,(H,34,38).

What are the key properties of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide?

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 66625980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).