1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C22H21F2N3OS — CID 45203130

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H21F2N3OS/c23-19-8-3-15(10-20(19)24)11-27-9-1-2-17(12-27)22(28)26-18-6-4-16(5-7-18)21-13-29-14-25-21/h3-8,10,13-14,17H,1-2,9,11-12H2,(H,26,28)
InChIKeyFQZXZVVRUCJISM-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.94
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45203130) has the molecular formula C22H21F2N3OS and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID45203130
Molecular FormulaC22H21F2N3OS
Molecular Weight413.49 g/mol
Exact Mass413.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C22H21F2N3OS/c23-19-8-3-15(10-20(19)24)11-27-9-1-2-17(12-27)22(28)26-18-6-4-16(5-7-18)21-13-29-14-25-21/h3-8,10,13-14,17H,1-2,9,11-12H2,(H,26,28)
InChIKeyFQZXZVVRUCJISM-UHFFFAOYSA-N
XLogP4.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
4-Methyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638519
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24791083
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
Quinolinone, 10
CID 42618038
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42618042
N-cyclohexyl-2-(3-fluoro-N-[2-(1,3-thiazol-4-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 68056459

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 45203130) is 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cscn2)cc1)C1CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is FQZXZVVRUCJISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3OS/c23-19-8-3-15(10-20(19)24)11-27-9-1-2-17(12-27)22(28)26-18-6-4-16(5-7-18)21-13-29-14-25-21/h3-8,10,13-14,17H,1-2,9,11-12H2,(H,26,28).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).