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

C23H34N4O3 — CID 42115377

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 42115377) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42115377
• Molecular Formula: C23H34N4O3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.26
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• SMILES: CCn1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1
• InChI: InChI=1S/C23H34N4O3/c1-4-27-17-19(13-25-27)16-26-11-5-6-18(15-26)7-10-23(28)24-14-20-8-9-21(29-2)12-22(20)30-3/h8-9,12-13,17-18H,4-7,10-11,14-16H2,1-3H3,(H,24,28)/t18-/m0/s1
• InChIKey: ASGZWHGHAYOLQW-SFHVURJKSA-N
• XLogP: 3.23
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	3.23
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-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 42115377) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is CCn1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cn1.

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

The InChIKey is ASGZWHGHAYOLQW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-4-27-17-19(13-25-27)16-26-11-5-6-18(15-26)7-10-23(28)24-14-20-8-9-21(29-2)12-22(20)30-3/h8-9,12-13,17-18H,4-7,10-11,14-16H2,1-3H3,(H,24,28)/t18-/m0/s1.

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 414.55 g/mol, XLogP of 3.23, 10 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-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42115377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).