1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C23H22FN3O2S — CID 55663679

IUPAC1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22FN3O2S/c24-19-8-6-18(7-9-19)23(29)27-12-10-17(11-13-27)22(28)25-14-21-26-20(15-30-21)16-4-2-1-3-5-16/h1-9,15,17H,10-14H2,(H,25,28)
InChIKeyGBVTVYKYJRKFLG-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 55663679) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID55663679
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H22FN3O2S/c24-19-8-6-18(7-9-19)23(29)27-12-10-17(11-13-27)22(28)25-14-21-26-20(15-30-21)16-4-2-1-3-5-16/h1-9,15,17H,10-14H2,(H,25,28)
InChIKeyGBVTVYKYJRKFLG-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110318230
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
(3S)-1-(2-methylsulfanylacetyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213828
(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818526
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
1-[2-(4-fluorophenyl)acetyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56586095
1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 32622900
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 55663679) is 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is O=C(NCc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GBVTVYKYJRKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-19-8-6-18(7-9-19)23(29)27-12-10-17(11-13-27)22(28)25-14-21-26-20(15-30-21)16-4-2-1-3-5-16/h1-9,15,17H,10-14H2,(H,25,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55663679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).