3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione

C15H20N2O3 — CID 115494415

IUPAC3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
SMILESCC(Cc1ccc(O)cc1)NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-10(9-11-3-5-12(18)6-4-11)16-13-7-8-14(19)17(2)15(13)20/h3-6,10,13,16,18H,7-9H2,1-2H3
InChIKeyQBDFDDJOJKYALF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.06
Rot. Bonds4

About 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione

3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione (PubChem CID 115494415) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
PubChem CID115494415
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
SMILESCC(Cc1ccc(O)cc1)NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-10(9-11-3-5-12(18)6-4-11)16-13-7-8-14(19)17(2)15(13)20/h3-6,10,13,16,18H,7-9H2,1-2H3
InChIKeyQBDFDDJOJKYALF-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.06
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

4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol
CID 115717016
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
CID 115524066
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354
(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124577010
3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 63011257
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione (CID 115494415) is 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione is CC(Cc1ccc(O)cc1)NC1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione?
The InChIKey is QBDFDDJOJKYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(9-11-3-5-12(18)6-4-11)16-13-7-8-14(19)17(2)15(13)20/h3-6,10,13,16,18H,7-9H2,1-2H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione?
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 115494415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).