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

C28H35N3O4 — CID 93199625

IUPACN-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C28H35N3O4/c1-20-10-12-22(13-11-20)26(32)29-25(28(34)30-16-6-3-7-17-30)21-14-18-31(19-15-21)27(33)23-8-4-5-9-24(23)35-2/h4-5,8-13,21,25H,3,6-7,14-19H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyGMNSKFYIJLAEGQ-RUZDIDTESA-N
MW477.61 g/mol
LogP3.67
Rot. Bonds6

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

N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide (PubChem CID 93199625) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
PubChem CID93199625
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C28H35N3O4/c1-20-10-12-22(13-11-20)26(32)29-25(28(34)30-16-6-3-7-17-30)21-14-18-31(19-15-21)27(33)23-8-4-5-9-24(23)35-2/h4-5,8-13,21,25H,3,6-7,14-19H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKeyGMNSKFYIJLAEGQ-RUZDIDTESA-N
XLogP3.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
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-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020513
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide (CID 93199625) is N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide is COc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is GMNSKFYIJLAEGQ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H35N3O4/c1-20-10-12-22(13-11-20)26(32)29-25(28(34)30-16-6-3-7-17-30)21-14-18-31(19-15-21)27(33)23-8-4-5-9-24(23)35-2/h4-5,8-13,21,25H,3,6-7,14-19H2,1-2H3,(H,29,32)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 477.61 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 93199625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).