2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide

C25H31N3O3S — CID 46019086

IUPAC2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H31N3O3S/c1-18-8-3-4-9-20(18)23(29)26-22(25(31)27-13-5-2-6-14-27)19-11-15-28(16-12-19)24(30)21-10-7-17-32-21/h3-4,7-10,17,19,22H,2,5-6,11-16H2,1H3,(H,26,29)
InChIKeyLWKMIQMICGYHAI-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.72
Rot. Bonds5

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

2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 46019086) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
PubChem CID46019086
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H31N3O3S/c1-18-8-3-4-9-20(18)23(29)26-22(25(31)27-13-5-2-6-14-27)19-11-15-28(16-12-19)24(30)21-10-7-17-32-21/h3-4,7-10,17,19,22H,2,5-6,11-16H2,1H3,(H,26,29)
InChIKeyLWKMIQMICGYHAI-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196790
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
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
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46019312
N-[(1S)-2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93197038
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42840278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide (CID 46019086) is 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is Cc1ccccc1C(=O)NC(C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
The InChIKey is LWKMIQMICGYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-18-8-3-4-9-20(18)23(29)26-22(25(31)27-13-5-2-6-14-27)19-11-15-28(16-12-19)24(30)21-10-7-17-32-21/h3-4,7-10,17,19,22H,2,5-6,11-16H2,1H3,(H,26,29).
What are the key properties of 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide?
2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 453.61 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46019086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).