N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide

C24H30F2N2O2 — CID 42395779

About N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 42395779) has the molecular formula C24H30F2N2O2 and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42395779
• Molecular Formula: C24H30F2N2O2
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.23
• IUPAC Name: N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1C
• InChI: InChI=1S/C24H30F2N2O2/c1-17-12-20(6-9-23(17)30-2)16-28-11-3-4-18(15-28)7-10-24(29)27-14-19-5-8-21(25)22(26)13-19/h5-6,8-9,12-13,18H,3-4,7,10-11,14-16H2,1-2H3,(H,27,29)/t18-/m0/s1
• InChIKey: LPAHRBWAFCZNEP-SFHVURJKSA-N
• XLogP: 4.59
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide (CID 42395779) is N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide is COc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1C.

What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide?

The InChIKey is LPAHRBWAFCZNEP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c1-17-12-20(6-9-23(17)30-2)16-28-11-3-4-18(15-28)7-10-24(29)27-14-19-5-8-21(25)22(26)13-19/h5-6,8-9,12-13,18H,3-4,7,10-11,14-16H2,1-2H3,(H,27,29)/t18-/m0/s1.

What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide?

N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 416.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42395779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).