N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H31FN4O — CID 70762061

About N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70762061) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 70762061
• Molecular Formula: C24H31FN4O
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.25
• IUPAC Name: N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1F)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C24H31FN4O/c25-23-8-2-1-6-20(23)16-27-24(30)21-7-4-12-29(18-21)22-9-13-28(14-10-22)17-19-5-3-11-26-15-19/h1-3,5-6,8,11,15,21-22H,4,7,9-10,12-14,16-18H2,(H,27,30)
• InChIKey: JJDZHJZJXVWGSF-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70762061) is N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCc1ccccc1F)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is JJDZHJZJXVWGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c25-23-8-2-1-6-20(23)16-27-24(30)21-7-4-12-29(18-21)22-9-13-28(14-10-22)17-19-5-3-11-26-15-19/h1-3,5-6,8,11,15,21-22H,4,7,9-10,12-14,16-18H2,(H,27,30).

What are the key properties of N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70762061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).