N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

C25H38N4O3 — CID 42358772

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 42358772) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42358772
• Molecular Formula: C25H38N4O3
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.29
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• SMILES: CCCn1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C
• InChI: InChI=1S/C25H38N4O3/c1-5-12-29-19(2)22(16-27-29)18-28-13-6-7-20(17-28)8-11-25(30)26-15-21-9-10-23(31-3)14-24(21)32-4/h9-10,14,16,20H,5-8,11-13,15,17-18H2,1-4H3,(H,26,30)/t20-/m0/s1
• InChIKey: NNRLVMIAMBUBEK-FQEVSTJZSA-N
• XLogP: 3.93
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 42358772) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is CCCn1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is NNRLVMIAMBUBEK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-5-12-29-19(2)22(16-27-29)18-28-13-6-7-20(17-28)8-11-25(30)26-15-21-9-10-23(31-3)14-24(21)32-4/h9-10,14,16,20H,5-8,11-13,15,17-18H2,1-4H3,(H,26,30)/t20-/m0/s1.

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 442.60 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42358772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).