N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide

C24H31N3O4S — CID 93199190

IUPACN-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-4-26(5-2)24(30)21(25-22(28)20-7-6-16-32-20)17-12-14-27(15-13-17)23(29)18-8-10-19(31-3)11-9-18/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyQWCHWTPQJDROLU-OAQYLSRUSA-N
MW457.60 g/mol
LogP3.28
Rot. Bonds8

About N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 93199190) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID93199190
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-4-26(5-2)24(30)21(25-22(28)20-7-6-16-32-20)17-12-14-27(15-13-17)23(29)18-8-10-19(31-3)11-9-18/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyQWCHWTPQJDROLU-OAQYLSRUSA-N
XLogP3.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93197423
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42840278
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198098
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 93199190) is N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide is CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QWCHWTPQJDROLU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-4-26(5-2)24(30)21(25-22(28)20-7-6-16-32-20)17-12-14-27(15-13-17)23(29)18-8-10-19(31-3)11-9-18/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 93199190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).