N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

C23H33N3O3 — CID 46020232

IUPACN-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCC(C)C(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H33N3O3/c1-17(2)22(28)26-15-11-18(12-16-26)20(23(29)25-13-7-4-8-14-25)24-21(27)19-9-5-3-6-10-19/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,24,27)
InChIKeyPVUYMIUNJCEHRY-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.69
Rot. Bonds5

About N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (PubChem CID 46020232) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
PubChem CID46020232
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCC(C)C(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H33N3O3/c1-17(2)22(28)26-15-11-18(12-16-26)20(23(29)25-13-7-4-8-14-25)24-21(27)19-9-5-3-6-10-19/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,24,27)
InChIKeyPVUYMIUNJCEHRY-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020588
4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200031
N-[2-anilino-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46014635
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 46020042

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (CID 46020232) is N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is CC(C)C(=O)N1CCC(C(NC(=O)c2ccccc2)C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The InChIKey is PVUYMIUNJCEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-17(2)22(28)26-15-11-18(12-16-26)20(23(29)25-13-7-4-8-14-25)24-21(27)19-9-5-3-6-10-19/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 46020232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).