1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione

C15H16N2O2 — CID 512832

IUPAC1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2
InChIKeyWDVCZWBFCRAQKN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione

1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione (PubChem CID 512832) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
PubChem CID512832
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2
InChIKeyWDVCZWBFCRAQKN-UHFFFAOYSA-N
XLogP2.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
6,13-bis(4-piperidin-1-ylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 12770234
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]cyclohexyl]phenyl]pyrrole-2,5-dione
CID 19077999
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
1-(4-nitrosophenyl)piperidine
CID 88954522
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 90336155
1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
CID 79516762
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
methane;1-phenylpyrrole-2,5-dione
CID 174935875

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione (CID 512832) is 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione?
The InChIKey is WDVCZWBFCRAQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2.
What are the key properties of 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione?
1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione has a molecular weight of 256.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 512832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).