[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate

C19H26N2O4 — CID 7687437

IUPAC[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
SMILESCc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCCC1=O
InChIInChI=1S/C19H26N2O4/c1-13-11-14(20-16(22)12-25-18(24)19(2,3)4)8-9-15(13)21-10-6-5-7-17(21)23/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22)
InChIKeyXHMZEHMXKJMUCY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.04
Rot. Bonds4

About [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate

[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate (PubChem CID 7687437) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
PubChem CID7687437
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
SMILESCc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCCC1=O
InChIInChI=1S/C19H26N2O4/c1-13-11-14(20-16(22)12-25-18(24)19(2,3)4)8-9-15(13)21-10-6-5-7-17(21)23/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22)
InChIKeyXHMZEHMXKJMUCY-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 7687442
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate (CID 7687437) is [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate is Cc1cc(NC(=O)COC(=O)C(C)(C)C)ccc1N1CCCCC1=O.
What is the InChIKey of [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
The InChIKey is XHMZEHMXKJMUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-11-14(20-16(22)12-25-18(24)19(2,3)4)8-9-15(13)21-10-6-5-7-17(21)23/h8-9,11H,5-7,10,12H2,1-4H3,(H,20,22).
What are the key properties of [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate?
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate has a molecular weight of 346.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 7687437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).