3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide

C33H41Cl4N5O4 — CID 177489530

About 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide

3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide (PubChem CID 177489530) has the molecular formula C33H41Cl4N5O4 and a molecular weight of 713.53 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide
• PubChem CID: 177489530
• Molecular Formula: C33H41Cl4N5O4
• Molecular Weight: 713.53 g/mol
• Exact Mass: 711.19
• IUPAC Name: 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide
• SMILES: CN(C)C(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/O)c3ccc(Cl)c(Cl)c3)CC2)C1=O
• InChI: InChI=1S/C33H41Cl4N5O4/c1-39(2)31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(38-46)20-40(3)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27,46H,4-5,8-14,18,20H2,1-3H3/b38-30+
• InChIKey: TYZGWDFRKZYDSU-BIXQXLNPSA-N
• XLogP: 6.56
• TPSA: 96.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.53
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide?

The IUPAC name of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide (CID 177489530) is 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide.

What is the SMILES notation for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide?

The canonical SMILES for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide is CN(C)C(=O)CC1CCCN(C2CCN(CCC(/C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N/O)c3ccc(Cl)c(Cl)c3)CC2)C1=O.

What is the InChIKey of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide?

The InChIKey is TYZGWDFRKZYDSU-BIXQXLNPSA-N. The full InChI is InChI=1S/C33H41Cl4N5O4/c1-39(2)31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(38-46)20-40(3)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27,46H,4-5,8-14,18,20H2,1-3H3/b38-30+.

What are the key properties of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide?

3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide has a molecular weight of 713.53 g/mol, XLogP of 6.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide is sourced from PubChem (CID 177489530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).