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

C46H55N7O4 — CID 172630904

IUPACN-[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
SMILESCCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCN(CC2CCN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C46H55N7O4/c1-2-53(37-20-24-50(25-21-37)32-33-18-26-51(27-19-33)36-14-12-34(13-15-36)39-16-17-43(55)48-44(39)56)45(57)46(35-8-4-3-5-9-35)22-28-52(29-23-46)38-30-41(49-47-31-38)40-10-6-7-11-42(40)54/h3-15,30-31,33,37,39,54H,2,16-29,32H2,1H3,(H,48,55,56)/t39-/m1/s1
InChIKeyFGOMPOCKSJDTGS-LDLOPFEMSA-N
MW769.99 g/mol
LogP6.14
Rot. Bonds10

About 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

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 (PubChem CID 172630904) has the molecular formula C46H55N7O4 and a molecular weight of 769.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID172630904
Molecular FormulaC46H55N7O4
Molecular Weight769.99 g/mol
Exact Mass769.43
IUPAC NameN-[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
SMILESCCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCN(CC2CCN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C46H55N7O4/c1-2-53(37-20-24-50(25-21-37)32-33-18-26-51(27-19-33)36-14-12-34(13-15-36)39-16-17-43(55)48-44(39)56)45(57)46(35-8-4-3-5-9-35)22-28-52(29-23-46)38-30-41(49-47-31-38)40-10-6-7-11-42(40)54/h3-15,30-31,33,37,39,54H,2,16-29,32H2,1H3,(H,48,55,56)/t39-/m1/s1
InChIKeyFGOMPOCKSJDTGS-LDLOPFEMSA-N
XLogP6.14
TPSA122.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 56.14
H-Bond Donors ≤ 52
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-[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 with MolForge

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Related Compounds

(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
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
(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-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
(3S)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706589
(3R)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706421
3-[4-[4-[[2-[4-(3-chlorophenyl)-1-[(1E,3Z)-1,4-diamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidine-4-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630255
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCN(CC2CCN(c3ccc([C@H]4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is FGOMPOCKSJDTGS-LDLOPFEMSA-N. The full InChI is InChI=1S/C46H55N7O4/c1-2-53(37-20-24-50(25-21-37)32-33-18-26-51(27-19-33)36-14-12-34(13-15-36)39-16-17-43(55)48-44(39)56)45(57)46(35-8-4-3-5-9-35)22-28-52(29-23-46)38-30-41(49-47-31-38)40-10-6-7-11-42(40)54/h3-15,30-31,33,37,39,54H,2,16-29,32H2,1H3,(H,48,55,56)/t39-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 769.99 g/mol, XLogP of 6.14, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172630904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).