N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

C24H29F2N3O2S — CID 45220656

IUPACN-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(C(Cc3ccc(F)cc3F)N(C)C(=O)C3CC3)CC2)s1
InChIInChI=1S/C24H29F2N3O2S/c1-14-22(32-15(2)27-14)24(31)29-10-8-16(9-11-29)21(28(3)23(30)17-4-5-17)12-18-6-7-19(25)13-20(18)26/h6-7,13,16-17,21H,4-5,8-12H2,1-3H3
InChIKeyPLLMKJVWOWEWSR-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide

N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 45220656) has the molecular formula C24H29F2N3O2S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
PubChem CID45220656
Molecular FormulaC24H29F2N3O2S
Molecular Weight461.58 g/mol
Exact Mass461.19
IUPAC NameN-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
SMILESCc1nc(C)c(C(=O)N2CCC(C(Cc3ccc(F)cc3F)N(C)C(=O)C3CC3)CC2)s1
InChIInChI=1S/C24H29F2N3O2S/c1-14-22(32-15(2)27-14)24(31)29-10-8-16(9-11-29)21(28(3)23(30)17-4-5-17)12-18-6-7-19(25)13-20(18)26/h6-7,13,16-17,21H,4-5,8-12H2,1-3H3
InChIKeyPLLMKJVWOWEWSR-UHFFFAOYSA-N
XLogP4.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
CID 42539918
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 26360938
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42321493
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42382240
N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 126467054
N-[2-(2,4-difluorophenyl)-1-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 118754965
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033541
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
(2,4-dimethyl-1,3-thiazol-5-yl)-[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]methanone
CID 90630179
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide (CID 45220656) is N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is Cc1nc(C)c(C(=O)N2CCC(C(Cc3ccc(F)cc3F)N(C)C(=O)C3CC3)CC2)s1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is PLLMKJVWOWEWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2S/c1-14-22(32-15(2)27-14)24(31)29-10-8-16(9-11-29)21(28(3)23(30)17-4-5-17)12-18-6-7-19(25)13-20(18)26/h6-7,13,16-17,21H,4-5,8-12H2,1-3H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide?
N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 461.58 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 45220656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).