6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one

C17H24N4O — CID 158888188

IUPAC6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H24N4O/c1-13-16(7-8-17(22)18-13)19-14-3-5-15(6-4-14)21-11-9-20(2)10-12-21/h3-6,16,19H,1,7-12H2,2H3,(H,18,22)
InChIKeyZKMKGPFWJAKGOW-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.64
Rot. Bonds3

About 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one

6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one (PubChem CID 158888188) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one.

Molecular Properties

Compound Name6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one
PubChem CID158888188
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one
SMILESC=C1NC(=O)CCC1Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H24N4O/c1-13-16(7-8-17(22)18-13)19-14-3-5-15(6-4-14)21-11-9-20(2)10-12-21/h3-6,16,19H,1,7-12H2,2H3,(H,18,22)
InChIKeyZKMKGPFWJAKGOW-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472102
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 123222448

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one?
The IUPAC name of 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one (CID 158888188) is 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one.
What is the SMILES notation for 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one?
The canonical SMILES for 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one is C=C1NC(=O)CCC1Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one?
The InChIKey is ZKMKGPFWJAKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-16(7-8-17(22)18-13)19-14-3-5-15(6-4-14)21-11-9-20(2)10-12-21/h3-6,16,19H,1,7-12H2,2H3,(H,18,22).
What are the key properties of 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one?
6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one has a molecular weight of 300.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5-[4-(4-methylpiperazin-1-yl)anilino]piperidin-2-one is sourced from PubChem (CID 158888188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).