5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide

C24H31F2N3O2S — CID 121305344

IUPAC5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide
SMILESCCC(=C1CCN(CC(F)F)CC1)c1sc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1C
InChIInChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)13-21(25)26)22-15(3)11-20(32-22)24(31)27-12-19-14(2)10-16(4)28-23(19)30/h10-11,21H,5-9,12-13H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyCSDPAKQDRSQOHA-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.82
Rot. Bonds7

About 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide

5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 121305344) has the molecular formula C24H31F2N3O2S and a molecular weight of 463.59 g/mol. Its IUPAC name is 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID121305344
Molecular FormulaC24H31F2N3O2S
Molecular Weight463.59 g/mol
Exact Mass463.21
IUPAC Name5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide
SMILESCCC(=C1CCN(CC(F)F)CC1)c1sc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1C
InChIInChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)13-21(25)26)22-15(3)11-20(32-22)24(31)27-12-19-14(2)10-16(4)28-23(19)30/h10-11,21H,5-9,12-13H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyCSDPAKQDRSQOHA-UHFFFAOYSA-N
XLogP4.82
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide with MolForge

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-((E)-1-((trans)-4-(dimethylamino)cyclohexyl)prop-1-en-1-yl)-4-methylthiophene-3-carboxamide
CID 121268949
4-methyl-N-[1-(1-piperidinylcarbonyl)-2-(2-thienyl)vinyl]benzamide
CID 1100448
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide (CID 121305344) is 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide is CCC(=C1CCN(CC(F)F)CC1)c1sc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1C.
What is the InChIKey of 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is CSDPAKQDRSQOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)13-21(25)26)22-15(3)11-20(32-22)24(31)27-12-19-14(2)10-16(4)28-23(19)30/h10-11,21H,5-9,12-13H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide?
5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 121305344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).