N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide

C21H24N2O3 — CID 7687596

IUPACN-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-11-9-16(10-12-19)21(25)22-17-6-5-7-18(14-17)23-13-4-3-8-20(23)24/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,22,25)
InChIKeyGYGFILTUJDHSNE-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.24
Rot. Bonds5

About N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide

N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 7687596) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID7687596
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-11-9-16(10-12-19)21(25)22-17-6-5-7-18(14-17)23-13-4-3-8-20(23)24/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,22,25)
InChIKeyGYGFILTUJDHSNE-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687589
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261
4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
CID 112819938
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide (CID 7687596) is N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1.
What is the InChIKey of N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is GYGFILTUJDHSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-19-11-9-16(10-12-19)21(25)22-17-6-5-7-18(14-17)23-13-4-3-8-20(23)24/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide?
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7687596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).