N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide

C45H53N7O4 — CID 172630488

IUPACN-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide
SMILESO=C1CC[C@H](c2ccc(N3CCC(CNC4CCC(NC(=O)C5(c6ccccc6)CCN(c6cnnc(-c7ccccc7O)c6)CC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C45H53N7O4/c53-41-9-5-4-8-39(41)40-28-37(30-47-50-40)52-26-22-45(23-27-52,33-6-2-1-3-7-33)44(56)48-35-14-12-34(13-15-35)46-29-31-20-24-51(25-21-31)36-16-10-32(11-17-36)38-18-19-42(54)49-43(38)55/h1-11,16-17,28,30-31,34-35,38,46,53H,12-15,18-27,29H2,(H,48,56)(H,49,54,55)/t34?,35?,38-/m1/s1
InChIKeyPHNAATOZMIFJIE-RHLLQQSDSA-N
MW755.96 g/mol
LogP5.84
Rot. Bonds10

About N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide

N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide (PubChem CID 172630488) has the molecular formula C45H53N7O4 and a molecular weight of 755.96 g/mol. Its IUPAC name is N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide
PubChem CID172630488
Molecular FormulaC45H53N7O4
Molecular Weight755.96 g/mol
Exact Mass755.42
IUPAC NameN-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide
SMILESO=C1CC[C@H](c2ccc(N3CCC(CNC4CCC(NC(=O)C5(c6ccccc6)CCN(c6cnnc(-c7ccccc7O)c6)CC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C45H53N7O4/c53-41-9-5-4-8-39(41)40-28-37(30-47-50-40)52-26-22-45(23-27-52,33-6-2-1-3-7-33)44(56)48-35-14-12-34(13-15-35)46-29-31-20-24-51(25-21-31)36-16-10-32(11-17-36)38-18-19-42(54)49-43(38)55/h1-11,16-17,28,30-31,34-35,38,46,53H,12-15,18-27,29H2,(H,48,56)(H,49,54,55)/t34?,35?,38-/m1/s1
InChIKeyPHNAATOZMIFJIE-RHLLQQSDSA-N
XLogP5.84
TPSA139.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]-N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide
CID 172630904
(3R)-3-[4-[4-[[4-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-5-methyl-1,4-diazepan-1-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630360
(3R)-3-[4-[4-[[1-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630693
(3R)-3-[4-[4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(3-methylphenyl)piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630688
(3R)-3-[4-[4-[[4-[4-cyclopropyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630512
(3R)-3-[6-[4-fluoro-4-[[2-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 172630151
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
CID 172630663
3-[4-[4-[4-[5-[3-(2-hydroxyphenyl)pyrrolo[3,2-c]pyridazin-5-yl]-2-pyridinyl]piperidin-1-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177338923
(3R)-3-[4-[4-[4-[4-[1-[6-(2-hydroxyphenyl)-1,2-dihydropyridazin-2-ium-4-yl]-4-phenylpiperidine-4-carbonyl]piperazin-1-yl]butanoyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 172630152
4-benzyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-4-carboxylic acid
CID 172630523

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide (CID 172630488) is N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide is O=C1CC[C@H](c2ccc(N3CCC(CNC4CCC(NC(=O)C5(c6ccccc6)CCN(c6cnnc(-c7ccccc7O)c6)CC5)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is PHNAATOZMIFJIE-RHLLQQSDSA-N. The full InChI is InChI=1S/C45H53N7O4/c53-41-9-5-4-8-39(41)40-28-37(30-47-50-40)52-26-22-45(23-27-52,33-6-2-1-3-7-33)44(56)48-35-14-12-34(13-15-35)46-29-31-20-24-51(25-21-31)36-16-10-32(11-17-36)38-18-19-42(54)49-43(38)55/h1-11,16-17,28,30-31,34-35,38,46,53H,12-15,18-27,29H2,(H,48,56)(H,49,54,55)/t34?,35?,38-/m1/s1.
What are the key properties of N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide?
N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 755.96 g/mol, XLogP of 5.84, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]methylamino]cyclohexyl]-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 172630488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).