3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione

C18H25N3O2 — CID 166468153

IUPAC3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCc1cc(NC2CCC(=O)NC2=O)ccc1C1CCN(C)CC1
InChIInChI=1S/C18H25N3O2/c1-12-11-14(19-16-5-6-17(22)20-18(16)23)3-4-15(12)13-7-9-21(2)10-8-13/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23)
InChIKeyCRSXKYDWCOUFTH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds3

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

3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 166468153) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID166468153
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCc1cc(NC2CCC(=O)NC2=O)ccc1C1CCN(C)CC1
InChIInChI=1S/C18H25N3O2/c1-12-11-14(19-16-5-6-17(22)20-18(16)23)3-4-15(12)13-7-9-21(2)10-8-13/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23)
InChIKeyCRSXKYDWCOUFTH-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
tert-butyl 4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 162726270
3-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]piperidine-2,6-dione
CID 137368671
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172591564
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
CID 166729573
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 166468153) is 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione is Cc1cc(NC2CCC(=O)NC2=O)ccc1C1CCN(C)CC1.
What is the InChIKey of 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is CRSXKYDWCOUFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-11-14(19-16-5-6-17(22)20-18(16)23)3-4-15(12)13-7-9-21(2)10-8-13/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 315.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166468153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).