2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

C27H33N3O3 — CID 93198018

IUPAC2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C27H33N3O3/c1-19-9-11-22(12-10-19)26(32)30-17-13-21(14-18-30)24(27(33)29-15-5-6-16-29)28-25(31)23-8-4-3-7-20(23)2/h3-4,7-12,21,24H,5-6,13-18H2,1-2H3,(H,28,31)/t24-/m0/s1
InChIKeyBVAVZKRKZOHZRK-DEOSSOPVSA-N
MW447.58 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide

2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 93198018) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID93198018
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C27H33N3O3/c1-19-9-11-22(12-10-19)26(32)30-17-13-21(14-18-30)24(27(33)29-15-5-6-16-29)28-25(31)23-8-4-3-7-20(23)2/h3-4,7-12,21,24H,5-6,13-18H2,1-2H3,(H,28,31)/t24-/m0/s1
InChIKeyBVAVZKRKZOHZRK-DEOSSOPVSA-N
XLogP3.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523
N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199625
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-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93200425
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020513
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide (CID 93198018) is 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is Cc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is BVAVZKRKZOHZRK-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-9-11-22(12-10-19)26(32)30-17-13-21(14-18-30)24(27(33)29-15-5-6-16-29)28-25(31)23-8-4-3-7-20(23)2/h3-4,7-12,21,24H,5-6,13-18H2,1-2H3,(H,28,31)/t24-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide?
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 93198018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).