N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide

C27H33N3O3 — CID 45214011

About N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45214011) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
• PubChem CID: 45214011
• Molecular Formula: C27H33N3O3
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.25
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(Cc3cccc4cccnc34)C2)c(OC)c1
• InChI: InChI=1S/C27H33N3O3/c1-32-24-12-11-22(25(16-24)33-2)17-29-26(31)13-10-20-6-5-15-30(18-20)19-23-8-3-7-21-9-4-14-28-27(21)23/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15,17-19H2,1-2H3,(H,29,31)
• InChIKey: YKDNCLGCGCSJIF-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide (CID 45214011) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3cccc4cccnc34)C2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?

The InChIKey is YKDNCLGCGCSJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-32-24-12-11-22(25(16-24)33-2)17-29-26(31)13-10-20-6-5-15-30(18-20)19-23-8-3-7-21-9-4-14-28-27(21)23/h3-4,7-9,11-12,14,16,20H,5-6,10,13,15,17-19H2,1-2H3,(H,29,31).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45214011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).