4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide

C23H35N3O4S — CID 46020795

IUPAC4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N2CCCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-17(2)31(29,30)26-15-11-19(12-16-26)21(23(28)25-13-5-4-6-14-25)24-22(27)20-9-7-18(3)8-10-20/h7-10,17,19,21H,4-6,11-16H2,1-3H3,(H,24,27)
InChIKeyLHZLUDNGKVXXBW-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.56
Rot. Bonds6

About 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide

4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide (PubChem CID 46020795) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
PubChem CID46020795
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N2CCCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-17(2)31(29,30)26-15-11-19(12-16-26)21(23(28)25-13-5-4-6-14-25)24-22(27)20-9-7-18(3)8-10-20/h7-10,17,19,21H,4-6,11-16H2,1-3H3,(H,24,27)
InChIKeyLHZLUDNGKVXXBW-UHFFFAOYSA-N
XLogP2.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93200710
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199610
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400
N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199625
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200092
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 93200691

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide (CID 46020795) is 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NC(C(=O)N2CCCCC2)C2CCN(S(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is LHZLUDNGKVXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-17(2)31(29,30)26-15-11-19(12-16-26)21(23(28)25-13-5-4-6-14-25)24-22(27)20-9-7-18(3)8-10-20/h7-10,17,19,21H,4-6,11-16H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide?
4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 449.62 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 46020795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).