N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide

C22H31N3O3 — CID 46019084

IUPACN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-16-8-4-5-9-19(16)21(27)23-20(22(28)25-12-6-3-7-13-25)18-10-14-24(15-11-18)17(2)26/h4-5,8-9,18,20H,3,6-7,10-15H2,1-2H3,(H,23,27)
InChIKeyZTFXIRVHGGSVIN-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.36
Rot. Bonds4

About N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide

N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide (PubChem CID 46019084) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
PubChem CID46019084
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
SMILESCC(=O)N1CCC(C(NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-16-8-4-5-9-19(16)21(27)23-20(22(28)25-12-6-3-7-13-25)18-10-14-24(15-11-18)17(2)26/h4-5,8-9,18,20H,3,6-7,10-15H2,1-2H3,(H,23,27)
InChIKeyZTFXIRVHGGSVIN-UHFFFAOYSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527
2-methyl-N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 46019098
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
N-[(1R)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93200425
2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019086
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
CID 93200202
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197158

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide (CID 46019084) is N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide is CC(=O)N1CCC(C(NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide?
The InChIKey is ZTFXIRVHGGSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-8-4-5-9-19(16)21(27)23-20(22(28)25-12-6-3-7-13-25)18-10-14-24(15-11-18)17(2)26/h4-5,8-9,18,20H,3,6-7,10-15H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide?
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide has a molecular weight of 385.51 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 46019084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).