N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide

C36H53N7O6S2 — CID 161004170

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 161004170) has the molecular formula C36H53N7O6S2 and a molecular weight of 744.00 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 161004170
• Molecular Formula: C36H53N7O6S2
• Molecular Weight: 744.00 g/mol
• Exact Mass: 743.35
• IUPAC Name: N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide
• SMILES: Cc1c(CNC(=O)N2CCC(CCCC(=O)NO)CC2)sc2ccccc12.Cc1nc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c(C)s1
• InChI: InChI=1S/C20H27N3O3S.C16H26N4O3S/c1-14-16-6-2-3-7-17(16)27-18(14)13-21-20(25)23-11-9-15(10-12-23)5-4-8-19(24)22-26;1-11-14(18-12(2)24-11)10-17-16(22)20-8-6-13(7-9-20)4-3-5-15(21)19-23/h2-3,6-7,15,26H,4-5,8-13H2,1H3,(H,21,25)(H,22,24);13,23H,3-10H2,1-2H3,(H,17,22)(H,19,21)
• InChIKey: TWHAUSRXBHJMPA-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 176.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.00
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide (CID 161004170) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide is Cc1c(CNC(=O)N2CCC(CCCC(=O)NO)CC2)sc2ccccc12.Cc1nc(CNC(=O)N2CCC(CCCC(=O)NO)CC2)c(C)s1.

What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide?

The InChIKey is TWHAUSRXBHJMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.C16H26N4O3S/c1-14-16-6-2-3-7-17(16)27-18(14)13-21-20(25)23-11-9-15(10-12-23)5-4-8-19(24)22-26;1-11-14(18-12(2)24-11)10-17-16(22)20-8-6-13(7-9-20)4-3-5-15(21)19-23/h2-3,6-7,15,26H,4-5,8-13H2,1H3,(H,21,25)(H,22,24);13,23H,3-10H2,1-2H3,(H,17,22)(H,19,21).

What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide?

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 744.00 g/mol, XLogP of 6.16, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 161004170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).