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

C23H34N4O3S — CID 45234130

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 45234130) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
• PubChem CID: 45234130
• Molecular Formula: C23H34N4O3S
• Molecular Weight: 446.62 g/mol
• Exact Mass: 446.24
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(Cc3cnc(N(C)C)s3)C2)c(OC)c1
• InChI: InChI=1S/C23H34N4O3S/c1-26(2)23-25-14-20(31-23)16-27-11-5-6-17(15-27)7-10-22(28)24-13-18-8-9-19(29-3)12-21(18)30-4/h8-9,12,14,17H,5-7,10-11,13,15-16H2,1-4H3,(H,24,28)
• InChIKey: YCKHEYLPZRZNLJ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.62
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide (CID 45234130) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3cnc(N(C)C)s3)C2)c(OC)c1.

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

The InChIKey is YCKHEYLPZRZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-26(2)23-25-14-20(31-23)16-27-11-5-6-17(15-27)7-10-22(28)24-13-18-8-9-19(29-3)12-21(18)30-4/h8-9,12,14,17H,5-7,10-11,13,15-16H2,1-4H3,(H,24,28).

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 446.62 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45234130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).