3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen

C18H29N3O2 — CID 178116591

IUPAC3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
SMILESCCNC1CCCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1.[H][H].[H][H]
InChIInChI=1S/C18H25N3O2.2H2/c1-2-19-14-4-3-11-21(12-14)15-7-5-13(6-8-15)16-9-10-17(22)20-18(16)23;;/h5-8,14,16,19H,2-4,9-12H2,1H3,(H,20,22,23);2*1H
InChIKeyWBBGESVBEXGWCY-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.28
Rot. Bonds4

About 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen

3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen (PubChem CID 178116591) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen.

Molecular Properties

Compound Name3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
PubChem CID178116591
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
SMILESCCNC1CCCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1.[H][H].[H][H]
InChIInChI=1S/C18H25N3O2.2H2/c1-2-19-14-4-3-11-21(12-14)15-7-5-13(6-8-15)16-9-10-17(22)20-18(16)23;;/h5-8,14,16,19H,2-4,9-12H2,1H3,(H,20,22,23);2*1H
InChIKeyWBBGESVBEXGWCY-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167190159
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
1-(3,5-dimethylphenyl)-3-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170156101
1-(3-chloro-4-methylphenyl)-3-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]phenyl]azetidin-3-yl]urea
CID 170155963
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen?
The IUPAC name of 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen (CID 178116591) is 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen.
What is the SMILES notation for 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen?
The canonical SMILES for 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen is CCNC1CCCN(c2ccc(C3CCC(=O)NC3=O)cc2)C1.[H][H].[H][H].
What is the InChIKey of 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen?
The InChIKey is WBBGESVBEXGWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2H2/c1-2-19-14-4-3-11-21(12-14)15-7-5-13(6-8-15)16-9-10-17(22)20-18(16)23;;/h5-8,14,16,19H,2-4,9-12H2,1H3,(H,20,22,23);2*1H.
What are the key properties of 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen?
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen has a molecular weight of 319.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen is sourced from PubChem (CID 178116591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).