1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H19F2N3O2S — CID 75404762

IUPAC1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C(F)(F)c3ccccc3)CC2)n1
InChIInChI=1S/C18H19F2N3O2S/c1-12-11-26-17(21-12)22-15(24)13-7-9-23(10-8-13)16(25)18(19,20)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,21,22,24)
InChIKeyHHOCGZMQXCXAIU-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 75404762) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID75404762
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)C(F)(F)c3ccccc3)CC2)n1
InChIInChI=1S/C18H19F2N3O2S/c1-12-11-26-17(21-12)22-15(24)13-7-9-23(10-8-13)16(25)18(19,20)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,21,22,24)
InChIKeyHHOCGZMQXCXAIU-UHFFFAOYSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 2915996
N-(4-Phenyl-2-thiazolyl)-8-oxo-9,9,9-trifluorononanamide
CID 9977314
3-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-1,1-dimethylurea
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 75404762) is 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)C(F)(F)c3ccccc3)CC2)n1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HHOCGZMQXCXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-12-11-26-17(21-12)22-15(24)13-7-9-23(10-8-13)16(25)18(19,20)14-5-3-2-4-6-14/h2-6,11,13H,7-10H2,1H3,(H,21,22,24).
What are the key properties of 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylacetyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75404762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).