4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide

C19H24F2N4OS — CID 138608843

IUPAC4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(Cc3c(F)cc(N(C)C)cc3F)CC2)sn1
InChIInChI=1S/C19H24F2N4OS/c1-12-8-18(27-23-12)22-19(26)25-6-4-13(5-7-25)9-15-16(20)10-14(24(2)3)11-17(15)21/h8,10-11,13H,4-7,9H2,1-3H3,(H,22,26)
InChIKeyZOXLYITXNPILRG-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.28
Rot. Bonds4

About 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide

4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138608843) has the molecular formula C19H24F2N4OS and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
PubChem CID138608843
Molecular FormulaC19H24F2N4OS
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(Cc3c(F)cc(N(C)C)cc3F)CC2)sn1
InChIInChI=1S/C19H24F2N4OS/c1-12-8-18(27-23-12)22-19(26)25-6-4-13(5-7-25)9-15-16(20)10-14(24(2)3)11-17(15)21/h8,10-11,13H,4-7,9H2,1-3H3,(H,22,26)
InChIKeyZOXLYITXNPILRG-UHFFFAOYSA-N
XLogP4.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide (CID 138608843) is 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(Cc3c(F)cc(N(C)C)cc3F)CC2)sn1.
What is the InChIKey of 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZOXLYITXNPILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4OS/c1-12-8-18(27-23-12)22-19(26)25-6-4-13(5-7-25)9-15-16(20)10-14(24(2)3)11-17(15)21/h8,10-11,13H,4-7,9H2,1-3H3,(H,22,26).
What are the key properties of 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138608843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).