N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide

C31H34F2N4O3 — CID 146676197

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 146676197) has the molecular formula C31H34F2N4O3 and a molecular weight of 548.63 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
• PubChem CID: 146676197
• Molecular Formula: C31H34F2N4O3
• Molecular Weight: 548.63 g/mol
• Exact Mass: 548.26
• IUPAC Name: N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cc(F)cc(F)c5)CC4)cn3)CC2)cc1
• InChI: InChI=1S/C31H34F2N4O3/c1-21-2-5-27(6-3-21)40-28-10-14-37(15-11-28)31(39)29-7-4-23(19-34-29)30(38)35-26-8-12-36(13-9-26)20-22-16-24(32)18-25(33)17-22/h2-7,16-19,26,28H,8-15,20H2,1H3,(H,35,38)
• InChIKey: XELPDCRJZXPXEC-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.63
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?

The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 146676197) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide is Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5cc(F)cc(F)c5)CC4)cn3)CC2)cc1.

What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?

The InChIKey is XELPDCRJZXPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O3/c1-21-2-5-27(6-3-21)40-28-10-14-37(15-11-28)31(39)29-7-4-23(19-34-29)30(38)35-26-8-12-36(13-9-26)20-22-16-24(32)18-25(33)17-22/h2-7,16-19,26,28H,8-15,20H2,1H3,(H,35,38).

What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 548.63 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 146676197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).