N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C23H33N3O3S — CID 56583060

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56583060) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 56583060
• Molecular Formula: C23H33N3O3S
• Molecular Weight: 431.60 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: CCCOc1ccc(C(C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1OC
• InChI: InChI=1S/C23H33N3O3S/c1-5-12-29-21-7-6-19(13-22(21)28-4)16(2)24-23(27)18-8-10-26(11-9-18)14-20-15-30-17(3)25-20/h6-7,13,15-16,18H,5,8-12,14H2,1-4H3,(H,24,27)
• InChIKey: JXJGKBDSZVIHLI-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.60
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56583060) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is CCCOc1ccc(C(C)NC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1OC.

What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is JXJGKBDSZVIHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-5-12-29-21-7-6-19(13-22(21)28-4)16(2)24-23(27)18-8-10-26(11-9-18)14-20-15-30-17(3)25-20/h6-7,13,15-16,18H,5,8-12,14H2,1-4H3,(H,24,27).

What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56583060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).