1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide

C39H48Cl2N6O5 — CID 164720833

About 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide

1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 164720833) has the molecular formula C39H48Cl2N6O5 and a molecular weight of 751.76 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 164720833
• Molecular Formula: C39H48Cl2N6O5
• Molecular Weight: 751.76 g/mol
• Exact Mass: 750.31
• IUPAC Name: 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1
• InChI: InChI=1S/C39H48Cl2N6O5/c1-23-24(2)38(50)44(3)21-29(23)26-18-31(40)30(35(19-26)52-5)22-46-14-12-28(13-15-46)45(4)39(51)25-10-16-47(17-11-25)34-8-6-27(20-32(34)41)42-33-7-9-36(48)43-37(33)49/h6,8,18-21,25,28,33,42H,7,9-17,22H2,1-5H3,(H,43,48,49)
• InChIKey: NGVXQSOSXZIDJL-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 116.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.76
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide (CID 164720833) is 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.

What is the InChIKey of 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?

The InChIKey is NGVXQSOSXZIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48Cl2N6O5/c1-23-24(2)38(50)44(3)21-29(23)26-18-31(40)30(35(19-26)52-5)22-46-14-12-28(13-15-46)45(4)39(51)25-10-16-47(17-11-25)34-8-6-27(20-32(34)41)42-33-7-9-36(48)43-37(33)49/h6,8,18-21,25,28,33,42H,7,9-17,22H2,1-5H3,(H,43,48,49).

What are the key properties of 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide?

1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 751.76 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 164720833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).