1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde

C18H23N3O3 — CID 167282347

IUPAC1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde
SMILESCc1cc(N2CCC(C=O)CC2)ccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C18H23N3O3/c1-12-10-14(21-8-6-13(11-22)7-9-21)2-3-15(12)19-16-4-5-17(23)20-18(16)24/h2-3,10-11,13,16,19H,4-9H2,1H3,(H,20,23,24)
InChIKeyMTKFOXVGOGLIJR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds4

About 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde

1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde (PubChem CID 167282347) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde
PubChem CID167282347
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde
SMILESCc1cc(N2CCC(C=O)CC2)ccc1NC1CCC(=O)NC1=O
InChIInChI=1S/C18H23N3O3/c1-12-10-14(21-8-6-13(11-22)7-9-21)2-3-15(12)19-16-4-5-17(23)20-18(16)24/h2-3,10-11,13,16,19H,4-9H2,1H3,(H,20,23,24)
InChIKeyMTKFOXVGOGLIJR-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde 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

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
CID 167282536
1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carbaldehyde
CID 163203491
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;ethane;2-methoxy-2-methylpropane
CID 166113555
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
1-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]phenyl]piperidine-4-carbaldehyde
CID 166461525
(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
CID 146485017
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde (CID 167282347) is 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde is Cc1cc(N2CCC(C=O)CC2)ccc1NC1CCC(=O)NC1=O.
What is the InChIKey of 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde?
The InChIKey is MTKFOXVGOGLIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-10-14(21-8-6-13(11-22)7-9-21)2-3-15(12)19-16-4-5-17(23)20-18(16)24/h2-3,10-11,13,16,19H,4-9H2,1H3,(H,20,23,24).
What are the key properties of 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde?
1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde has a molecular weight of 329.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 167282347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).