[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate

C21H22N2O4 — CID 7687744

IUPAC[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-14-10-11-16(13-18(14)23-12-6-5-9-20(23)25)22-21(26)17-7-3-4-8-19(17)27-15(2)24/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,26)
InChIKeyURDKBJCGHCCTCY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.69
Rot. Bonds4

About [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate

[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 7687744) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate
PubChem CID7687744
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C21H22N2O4/c1-14-10-11-16(13-18(14)23-12-6-5-9-20(23)25)22-21(26)17-7-3-4-8-19(17)27-15(2)24/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,26)
InChIKeyURDKBJCGHCCTCY-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7686963
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066

Frequently Asked Questions

What is the IUPAC name of [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate (CID 7687744) is [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1.
What is the InChIKey of [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is URDKBJCGHCCTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-10-11-16(13-18(14)23-12-6-5-9-20(23)25)22-21(26)17-7-3-4-8-19(17)27-15(2)24/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,22,26).
What are the key properties of [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate?
[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 366.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 7687744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).