3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione

C18H25N3O2 — CID 178015398

IUPAC3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
SMILESCNC1CCC(Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17(22)21-18(16)23/h2-5,13,15-16,19-20H,6-11H2,1H3,(H,21,22,23)
InChIKeySTAMNROPOROLRC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.15
Rot. Bonds4

About 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione

3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione (PubChem CID 178015398) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
PubChem CID178015398
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
SMILESCNC1CCC(Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17(22)21-18(16)23/h2-5,13,15-16,19-20H,6-11H2,1H3,(H,21,22,23)
InChIKeySTAMNROPOROLRC-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
CID 178015429
benzyl N-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)anilino]cyclohexyl]methyl]piperidin-1-yl]carbamate
CID 178015590
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
actinium;ethane;3-phenylpiperidine-2,6-dione
CID 176713494
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione (CID 178015398) is 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione is CNC1CCC(Nc2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The InChIKey is STAMNROPOROLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-13-6-8-15(9-7-13)20-14-4-2-12(3-5-14)16-10-11-17(22)21-18(16)23/h2-5,13,15-16,19-20H,6-11H2,1H3,(H,21,22,23).
What are the key properties of 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione?
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione has a molecular weight of 315.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178015398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).