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

C26H34N4O3 — CID 42197326

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 42197326) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42197326
• Molecular Formula: C26H34N4O3
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.26
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)c(OC)c1
• InChI: InChI=1S/C26H34N4O3/c1-29-23-9-5-4-8-22(23)28-25(29)18-30-14-6-7-19(17-30)10-13-26(31)27-16-20-11-12-21(32-2)15-24(20)33-3/h4-5,8-9,11-12,15,19H,6-7,10,13-14,16-18H2,1-3H3,(H,27,31)/t19-/m0/s1
• InChIKey: YHLJGRGOBBLVFQ-IBGZPJMESA-N
• XLogP: 3.90
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	3.90
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-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide (CID 42197326) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)c(OC)c1.

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

The InChIKey is YHLJGRGOBBLVFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H34N4O3/c1-29-23-9-5-4-8-22(23)28-25(29)18-30-14-6-7-19(17-30)10-13-26(31)27-16-20-11-12-21(32-2)15-24(20)33-3/h4-5,8-9,11-12,15,19H,6-7,10,13-14,16-18H2,1-3H3,(H,27,31)/t19-/m0/s1.

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 450.58 g/mol, XLogP of 3.90, 9 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-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42197326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).