3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C24H28N4O3 — CID 168557954

IUPAC3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2NC2CCN(Cc3ccccc3)CC2)C(=O)N1CCO
InChIInChI=1S/C24H28N4O3/c29-15-14-28-23(30)16-22(24(28)31)26-21-9-5-4-8-20(21)25-19-10-12-27(13-11-19)17-18-6-2-1-3-7-18/h1-9,16,19,25-26,29H,10-15,17H2
InChIKeyDRSDWLRZHBVWDF-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.42
Rot. Bonds8

About 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168557954) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168557954
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccccc2NC2CCN(Cc3ccccc3)CC2)C(=O)N1CCO
InChIInChI=1S/C24H28N4O3/c29-15-14-28-23(30)16-22(24(28)31)26-21-9-5-4-8-20(21)25-19-10-12-27(13-11-19)17-18-6-2-1-3-7-18/h1-9,16,19,25-26,29H,10-15,17H2
InChIKeyDRSDWLRZHBVWDF-UHFFFAOYSA-N
XLogP2.42
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559383
3-(2-cyclohexyloxy-3-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559178
3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556561
1-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-3-chloropropan-2-ol
CID 168639852
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
3-[2-[(2-chlorophenyl)methylsulfanyl]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560468
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560311
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-(2-hydroxyethyl)-3-[2-[(4-methylphenyl)methylsulfanyl]anilino]pyrrole-2,5-dione
CID 168556340
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
3-(2-cyclohexyloxy-6-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558115

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168557954) is 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccccc2NC2CCN(Cc3ccccc3)CC2)C(=O)N1CCO.
What is the InChIKey of 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is DRSDWLRZHBVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-15-14-28-23(30)16-22(24(28)31)26-21-9-5-4-8-20(21)25-19-10-12-27(13-11-19)17-18-6-2-1-3-7-18/h1-9,16,19,25-26,29H,10-15,17H2.
What are the key properties of 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 420.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168557954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).