3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione

C21H30N4O2 — CID 164719832

IUPAC3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCC(C4CCNCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C21H30N4O2/c26-20-6-5-19(21(27)24-20)23-17-1-3-18(4-2-17)25-13-9-16(10-14-25)15-7-11-22-12-8-15/h1-4,15-16,19,22-23H,5-14H2,(H,24,26,27)
InChIKeySMOJQJIZGUUBAY-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.12
Rot. Bonds4

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

3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione (PubChem CID 164719832) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
PubChem CID164719832
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCC(C4CCNCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C21H30N4O2/c26-20-6-5-19(21(27)24-20)23-17-1-3-18(4-2-17)25-13-9-16(10-14-25)15-7-11-22-12-8-15/h1-4,15-16,19,22-23H,5-14H2,(H,24,26,27)
InChIKeySMOJQJIZGUUBAY-UHFFFAOYSA-N
XLogP2.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
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
3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472102
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 177300792
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one
CID 158888188
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione (CID 164719832) is 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCC(C4CCNCC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione?
The InChIKey is SMOJQJIZGUUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20-6-5-19(21(27)24-20)23-17-1-3-18(4-2-17)25-13-9-16(10-14-25)15-7-11-22-12-8-15/h1-4,15-16,19,22-23H,5-14H2,(H,24,26,27).
What are the key properties of 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione?
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione has a molecular weight of 370.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 164719832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).