N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide

C25H29FN4O — CID 42509972

About N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 42509972) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide
• PubChem CID: 42509972
• Molecular Formula: C25H29FN4O
• Molecular Weight: 420.53 g/mol
• Exact Mass: 420.23
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide
• SMILES: O=C(CCC1CCN(Cc2cn[nH]c2-c2ccccc2)CC1)NCc1ccc(F)cc1
• InChI: InChI=1S/C25H29FN4O/c26-23-9-6-20(7-10-23)16-27-24(31)11-8-19-12-14-30(15-13-19)18-22-17-28-29-25(22)21-4-2-1-3-5-21/h1-7,9-10,17,19H,8,11-16,18H2,(H,27,31)(H,28,29)
• InChIKey: UCBIFOZETLLKJI-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.53
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 42509972) is N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2cn[nH]c2-c2ccccc2)CC1)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide?

The InChIKey is UCBIFOZETLLKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-23-9-6-20(7-10-23)16-27-24(31)11-8-19-12-14-30(15-13-19)18-22-17-28-29-25(22)21-4-2-1-3-5-21/h1-7,9-10,17,19H,8,11-16,18H2,(H,27,31)(H,28,29).

What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide?

N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42509972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).