N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide

C21H27N3O3 — CID 171786146

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide
SMILESCc1cc(C2CCN(C)CC2)ccc1/C=C\N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C21H27N3O3/c1-15-13-18(17-7-10-23(2)11-8-17)4-3-16(15)9-12-24(14-25)19-5-6-20(26)22-21(19)27/h3-4,9,12-14,17,19H,5-8,10-11H2,1-2H3,(H,22,26,27)/b12-9-
InChIKeyCWQIMECDKMXMOW-XFXZXTDPSA-N
MW369.47 g/mol
LogP2.04
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide (PubChem CID 171786146) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide
PubChem CID171786146
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide
SMILESCc1cc(C2CCN(C)CC2)ccc1/C=C\N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C21H27N3O3/c1-15-13-18(17-7-10-23(2)11-8-17)4-3-16(15)9-12-24(14-25)19-5-6-20(26)22-21(19)27/h3-4,9,12-14,17,19H,5-8,10-11H2,1-2H3,(H,22,26,27)/b12-9-
InChIKeyCWQIMECDKMXMOW-XFXZXTDPSA-N
XLogP2.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide with MolForge

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Related Compounds

3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
tert-butyl 4-[4-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172590476
6-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-1,3-dihydroisoindole-5-carbaldehyde
CID 156709745
4-(4-bromo-3-methylphenyl)-1-methylpiperidine
CID 142031329
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide (CID 171786146) is N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide is Cc1cc(C2CCN(C)CC2)ccc1/C=C\N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide?
The InChIKey is CWQIMECDKMXMOW-XFXZXTDPSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-13-18(17-7-10-23(2)11-8-17)4-3-16(15)9-12-24(14-25)19-5-6-20(26)22-21(19)27/h3-4,9,12-14,17,19H,5-8,10-11H2,1-2H3,(H,22,26,27)/b12-9-.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide has a molecular weight of 369.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide is sourced from PubChem (CID 171786146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).