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

C24H31F2N3O2S — CID 121315282

IUPAC5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCC(=C1CCN(CC(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)12-21(25)26)22-16(4)20(13-32-22)23(30)27-11-19-14(2)10-15(3)28-24(19)31/h10,13,21H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySHUSPCBTMDNIOC-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-3-carboxamide

5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 121315282) 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-3-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-3-carboxamide
PubChem CID121315282
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-3-carboxamide
SMILESCCC(=C1CCN(CC(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)12-21(25)26)22-16(4)20(13-32-22)23(30)27-11-19-14(2)10-15(3)28-24(19)31/h10,13,21H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,31)
InChIKeySHUSPCBTMDNIOC-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

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
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
N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3244633
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9550700
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964
N-[3-(2,6-Dimethylpiperidin-1-YL)propyl]-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 20881880
5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-N-(1-(2,2,2-trifluoroethyl)-piperidin-4-yl)thiophene-3-carboxamide
CID 118432638
5-((1R,2R)-2-((1-acetylpiperidin-4-yl)amino)cyclo-propyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118432996
5-((1R,2R)-2-((1-cyclopropyl-piperidin-4-yl)-amino)cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118433088
5-((1R,2R)-2-((1-(cyclopropyl-carbonyl)piperidin-4-yl)amino)-cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118433279
5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 131709609
5-[(1S,2R)-2-[(1-cyclopropylpiperidin-4-yl)amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 131709614

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-3-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-3-carboxamide (CID 121315282) is 5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-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-3-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-3-carboxamide is CCC(=C1CCN(CC(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
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-3-carboxamide?
The InChIKey is SHUSPCBTMDNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O2S/c1-5-18(17-6-8-29(9-7-17)12-21(25)26)22-16(4)20(13-32-22)23(30)27-11-19-14(2)10-15(3)28-24(19)31/h10,13,21H,5-9,11-12H2,1-4H3,(H,27,30)(H,28,31).
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-3-carboxamide?
5-[1-[1-(2,2-difluoroethyl)piperidin-4-ylidene]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-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-3-carboxamide is sourced from PubChem (CID 121315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).