4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide

C27H28FN3O3S — CID 59158608

IUPAC4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide
SMILESCC(C)(CC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C27H28FN3O3S/c1-27(2,17-21(32)18-11-13-20(28)14-12-18)25(34)30-26-29-22(19-9-5-3-6-10-19)23(35-26)24(33)31-15-7-4-8-16-31/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,29,30,34)
InChIKeySOGJOZKTDVPRCJ-UHFFFAOYSA-N
MW493.60 g/mol
LogP5.81
Rot. Bonds7

About 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide

4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 59158608) has the molecular formula C27H28FN3O3S and a molecular weight of 493.60 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide
PubChem CID59158608
Molecular FormulaC27H28FN3O3S
Molecular Weight493.60 g/mol
Exact Mass493.18
IUPAC Name4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide
SMILESCC(C)(CC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCCCC2)s1
InChIInChI=1S/C27H28FN3O3S/c1-27(2,17-21(32)18-11-13-20(28)14-12-18)25(34)30-26-29-22(19-9-5-3-6-10-19)23(35-26)24(33)31-15-7-4-8-16-31/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,29,30,34)
InChIKeySOGJOZKTDVPRCJ-UHFFFAOYSA-N
XLogP5.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide (CID 59158608) is 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide is CC(C)(CC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCCCC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is SOGJOZKTDVPRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3S/c1-27(2,17-21(32)18-11-13-20(28)14-12-18)25(34)30-26-29-22(19-9-5-3-6-10-19)23(35-26)24(33)31-15-7-4-8-16-31/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,29,30,34).
What are the key properties of 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide?
4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 493.60 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 59158608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).