(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide

C24H33N3O4 — CID 167470652

IUPAC(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
SMILESCOCC/C=C(/C)C(=O)N(c1ccc(C2CCNCC2)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C24H33N3O4/c1-16(5-4-14-31-3)24(30)27(21-8-9-22(28)26-23(21)29)20-7-6-19(15-17(20)2)18-10-12-25-13-11-18/h5-7,15,18,21,25H,4,8-14H2,1-3H3,(H,26,28,29)/b16-5-
InChIKeyIQVXCRIEPSVXDU-BNCCVWRVSA-N
MW427.55 g/mol
LogP2.58
Rot. Bonds7

About (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide

(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide (PubChem CID 167470652) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
PubChem CID167470652
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
SMILESCOCC/C=C(/C)C(=O)N(c1ccc(C2CCNCC2)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C24H33N3O4/c1-16(5-4-14-31-3)24(30)27(21-8-9-22(28)26-23(21)29)20-7-6-19(15-17(20)2)18-10-12-25-13-11-18/h5-7,15,18,21,25H,4,8-14H2,1-3H3,(H,26,28,29)/b16-5-
InChIKeyIQVXCRIEPSVXDU-BNCCVWRVSA-N
XLogP2.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
CID 176968166
N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 176968678
3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 167071473
N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide
CID 171786146
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione
CID 156518135
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
CID 169452618
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide?
The IUPAC name of (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide (CID 167470652) is (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide.
What is the SMILES notation for (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide?
The canonical SMILES for (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide is COCC/C=C(/C)C(=O)N(c1ccc(C2CCNCC2)cc1C)C1CCC(=O)NC1=O.
What is the InChIKey of (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide?
The InChIKey is IQVXCRIEPSVXDU-BNCCVWRVSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-16(5-4-14-31-3)24(30)27(21-8-9-22(28)26-23(21)29)20-7-6-19(15-17(20)2)18-10-12-25-13-11-18/h5-7,15,18,21,25H,4,8-14H2,1-3H3,(H,26,28,29)/b16-5-.
What are the key properties of (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide?
(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide has a molecular weight of 427.55 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide is sourced from PubChem (CID 167470652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).