N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C23H26ClN3O3S — CID 42840278

IUPACN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C23H26ClN3O3S/c24-18-7-5-17(6-8-18)22(29)27-13-9-16(10-14-27)20(23(30)26-11-1-2-12-26)25-21(28)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,25,28)
InChIKeyUFLFGXXXYOIQTC-UHFFFAOYSA-N
MW460.00 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 42840278) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID42840278
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C23H26ClN3O3S/c24-18-7-5-17(6-8-18)22(29)27-13-9-16(10-14-27)20(23(30)26-11-1-2-12-26)25-21(28)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,25,28)
InChIKeyUFLFGXXXYOIQTC-UHFFFAOYSA-N
XLogP3.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197098
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 46151974
N-[(1R)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93200555
N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196790
2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019086
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 42840278) is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is O=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is UFLFGXXXYOIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c24-18-7-5-17(6-8-18)22(29)27-13-9-16(10-14-27)20(23(30)26-11-1-2-12-26)25-21(28)19-4-3-15-31-19/h3-8,15-16,20H,1-2,9-14H2,(H,25,28).
What are the key properties of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 460.00 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42840278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).