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

C39H46ClFN6O6 — CID 164719807

IUPACN-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C39H46ClFN6O6/c1-22-23(2)37(50)44(3)21-29(22)25-18-30(40)35(33(19-25)53-5)38(51)46-16-12-27(13-17-46)45(4)39(52)47-14-10-24(11-15-47)28-7-6-26(20-31(28)41)42-32-8-9-34(48)43-36(32)49/h6-7,18-21,24,27,32,42H,8-17H2,1-5H3,(H,43,48,49)
InChIKeyQLJFDRMCZWYXEY-UHFFFAOYSA-N
MW749.28 g/mol
LogP5.22
Rot. Bonds7

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

N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 164719807) has the molecular formula C39H46ClFN6O6 and a molecular weight of 749.28 g/mol. Its IUPAC name is N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide
PubChem CID164719807
Molecular FormulaC39H46ClFN6O6
Molecular Weight749.28 g/mol
Exact Mass748.32
IUPAC NameN-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1
InChIInChI=1S/C39H46ClFN6O6/c1-22-23(2)37(50)44(3)21-29(22)25-18-30(40)35(33(19-25)53-5)38(51)46-16-12-27(13-17-46)45(4)39(52)47-14-10-24(11-15-47)28-7-6-26(20-31(28)41)42-32-8-9-34(48)43-36(32)49/h6-7,18-21,24,27,32,42H,8-17H2,1-5H3,(H,43,48,49)
InChIKeyQLJFDRMCZWYXEY-UHFFFAOYSA-N
XLogP5.22
TPSA133.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.28
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide (CID 164719807) is N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(Cl)c1C(=O)N1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3F)CC2)CC1.
What is the InChIKey of N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is QLJFDRMCZWYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46ClFN6O6/c1-22-23(2)37(50)44(3)21-29(22)25-18-30(40)35(33(19-25)53-5)38(51)46-16-12-27(13-17-46)45(4)39(52)47-14-10-24(11-15-47)28-7-6-26(20-31(28)41)42-32-8-9-34(48)43-36(32)49/h6-7,18-21,24,27,32,42H,8-17H2,1-5H3,(H,43,48,49).
What are the key properties of N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide?
N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 749.28 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)benzoyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164719807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).