3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione

C21H25N5O2 — CID 171098642

IUPAC3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
SMILESNc1ccc(N2CCN(c3cccc(NC4CCC(=O)NC4=O)c3)CC2)cc1
InChIInChI=1S/C21H25N5O2/c22-15-4-6-17(7-5-15)25-10-12-26(13-11-25)18-3-1-2-16(14-18)23-19-8-9-20(27)24-21(19)28/h1-7,14,19,23H,8-13,22H2,(H,24,27,28)
InChIKeyQYNUUGCSEYEJMS-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.81
Rot. Bonds4

About 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione

3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 171098642) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
PubChem CID171098642
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
SMILESNc1ccc(N2CCN(c3cccc(NC4CCC(=O)NC4=O)c3)CC2)cc1
InChIInChI=1S/C21H25N5O2/c22-15-4-6-17(7-5-15)25-10-12-26(13-11-25)18-3-1-2-16(14-18)23-19-8-9-20(27)24-21(19)28/h1-7,14,19,23H,8-13,22H2,(H,24,27,28)
InChIKeyQYNUUGCSEYEJMS-UHFFFAOYSA-N
XLogP1.81
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione (CID 171098642) is 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione is Nc1ccc(N2CCN(c3cccc(NC4CCC(=O)NC4=O)c3)CC2)cc1.
What is the InChIKey of 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione?
The InChIKey is QYNUUGCSEYEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-15-4-6-17(7-5-15)25-10-12-26(13-11-25)18-3-1-2-16(14-18)23-19-8-9-20(27)24-21(19)28/h1-7,14,19,23H,8-13,22H2,(H,24,27,28).
What are the key properties of 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione?
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 379.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 171098642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).