ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione

C21H31N3O4 — CID 166472102

IUPACethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
SMILESCC.CC(=O)CC1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H25N3O4.C2H6/c1-13(23)12-19(26)8-10-22(11-9-19)15-4-2-14(3-5-15)20-16-6-7-17(24)21-18(16)25;1-2/h2-5,16,20,26H,6-12H2,1H3,(H,21,24,25);1-2H3
InChIKeyGYBGAGXLWAUDHK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.24
Rot. Bonds5

About ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione

ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 166472102) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
PubChem CID166472102
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Nameethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
SMILESCC.CC(=O)CC1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H25N3O4.C2H6/c1-13(23)12-19(26)8-10-22(11-9-19)15-4-2-14(3-5-15)20-16-6-7-17(24)21-18(16)25;1-2/h2-5,16,20,26H,6-12H2,1H3,(H,21,24,25);1-2H3
InChIKeyGYBGAGXLWAUDHK-UHFFFAOYSA-N
XLogP2.24
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166472103
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
2-[1-[2-chloro-4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]-4-hydroxypiperidin-4-yl]acetic acid;hydrochloride
CID 156505886
2-[1-[2-bromo-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 162726394
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
tert-butyl 3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]propanoate
CID 170770822
tert-butyl 2-[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetate
CID 156506261
butyl 2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetate
CID 166900506
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
3-[4-[4-hydroxy-4-(2-oxo-2-piperazin-1-ylethyl)piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 164720173
2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505941
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione?
The IUPAC name of ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione (CID 166472102) is ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione is CC.CC(=O)CC1(O)CCN(c2ccc(NC3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione?
The InChIKey is GYBGAGXLWAUDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.C2H6/c1-13(23)12-19(26)8-10-22(11-9-19)15-4-2-14(3-5-15)20-16-6-7-17(24)21-18(16)25;1-2/h2-5,16,20,26H,6-12H2,1H3,(H,21,24,25);1-2H3.
What are the key properties of ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione?
ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 389.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[4-hydroxy-4-(2-oxopropyl)piperidin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 166472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).