N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C58H73N11O4S3 — CID 158885636

About N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158885636) has the molecular formula C58H73N11O4S3 and a molecular weight of 1084.50 g/mol. Its IUPAC name is N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 158885636
• Molecular Formula: C58H73N11O4S3
• Molecular Weight: 1084.50 g/mol
• Exact Mass: 1083.50
• IUPAC Name: N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCC(Cc3ccc(C)cc3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(Cc3ccc4nccnc4c3)CC2)s1.COc1ccc(CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
• InChI: InChI=1S/C20H23N5OS.C19H25N3O2S.C19H25N3OS/c1-14(26)24-20-23-12-17(27-20)13-25-8-4-15(5-9-25)10-16-2-3-18-19(11-16)22-7-6-21-18;1-14(23)21-19-20-12-18(25-19)13-22-9-7-16(8-10-22)11-15-3-5-17(24-2)6-4-15;1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,23,24,26);3-6,12,16H,7-11,13H2,1-2H3,(H,20,21,23);3-6,12,17H,7-11,13H2,1-2H3,(H,20,21,23)
• InChIKey: JDPBUGHASBGQQU-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 170.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1084.50
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 158885636) is N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3ccc(C)cc3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(Cc3ccc4nccnc4c3)CC2)s1.COc1ccc(CC2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1.

What is the InChIKey of N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is JDPBUGHASBGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.C19H25N3O2S.C19H25N3OS/c1-14(26)24-20-23-12-17(27-20)13-25-8-4-15(5-9-25)10-16-2-3-18-19(11-16)22-7-6-21-18;1-14(23)21-19-20-12-18(25-19)13-22-9-7-16(8-10-22)11-15-3-5-17(24-2)6-4-15;1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,23,24,26);3-6,12,16H,7-11,13H2,1-2H3,(H,20,21,23);3-6,12,17H,7-11,13H2,1-2H3,(H,20,21,23).

What are the key properties of N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1084.50 g/mol, XLogP of 10.93, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(quinoxalin-6-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158885636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).