3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione

C23H32N2O2 — CID 177362260

IUPAC3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione
SMILESC=C(c1ccc(N2CC(CCC)(CCC)C2)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C23H32N2O2/c1-5-11-23(12-6-2)14-25(15-23)18-7-8-19(16(3)13-18)17(4)20-9-10-21(26)24-22(20)27/h7-8,13,20H,4-6,9-12,14-15H2,1-3H3,(H,24,26,27)
InChIKeyCPXCPNQLDIFAHH-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.47
Rot. Bonds7

About 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione

3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione (PubChem CID 177362260) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione
PubChem CID177362260
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione
SMILESC=C(c1ccc(N2CC(CCC)(CCC)C2)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C23H32N2O2/c1-5-11-23(12-6-2)14-25(15-23)18-7-8-19(16(3)13-18)17(4)20-9-10-21(26)24-22(20)27/h7-8,13,20H,4-6,9-12,14-15H2,1-3H3,(H,24,26,27)
InChIKeyCPXCPNQLDIFAHH-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 176968678
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155036962
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161715
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700
[2-[[1-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenyl]piperidin-4-yl]methyl]-2-azaspiro[3.5]nonan-7-yl] formate
CID 176695445
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
4-(2,7-diazaspiro[3.5]nonan-2-yl)-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 175975873
1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde
CID 167282347

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione?
The IUPAC name of 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione (CID 177362260) is 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione is C=C(c1ccc(N2CC(CCC)(CCC)C2)cc1C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione?
The InChIKey is CPXCPNQLDIFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-5-11-23(12-6-2)14-25(15-23)18-7-8-19(16(3)13-18)17(4)20-9-10-21(26)24-22(20)27/h7-8,13,20H,4-6,9-12,14-15H2,1-3H3,(H,24,26,27).
What are the key properties of 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione?
3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione has a molecular weight of 368.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3,3-dipropylazetidin-1-yl)-2-methylphenyl]ethenyl]piperidine-2,6-dione is sourced from PubChem (CID 177362260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).