N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide

C23H24FN3OS — CID 110217408

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1nccs1)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C23H24FN3OS/c24-20-10-4-6-17(14-20)15-27-12-5-9-19(16-27)21(23-25-11-13-29-23)26-22(28)18-7-2-1-3-8-18/h1-4,6-8,10-11,13-14,19,21H,5,9,12,15-16H2,(H,26,28)
InChIKeyRRXVUHBFJQNFRY-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.67
Rot. Bonds6

About N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide

N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 110217408) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
PubChem CID110217408
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1nccs1)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1
InChIInChI=1S/C23H24FN3OS/c24-20-10-4-6-17(14-20)15-27-12-5-9-19(16-27)21(23-25-11-13-29-23)26-22(28)18-7-2-1-3-8-18/h1-4,6-8,10-11,13-14,19,21H,5,9,12,15-16H2,(H,26,28)
InChIKeyRRXVUHBFJQNFRY-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
3-Methyl-N-{[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl}benzamide
CID 16094665
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-thiazol-2-ylphenyl)ethane-1,2-dione
CID 24996345
4-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344738
(6S,8aS)-2-benzoyl-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44338564
N-[1-[1-(4-benzylbenzoyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924952
3-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 84239271
[3,5-Bis(trifluoromethyl)phenyl]-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234935
N-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)benzamide
CID 7518516
N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522071
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide (CID 110217408) is N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide is O=C(NC(c1nccs1)C1CCCN(Cc2cccc(F)c2)C1)c1ccccc1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is RRXVUHBFJQNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-20-10-4-6-17(14-20)15-27-12-5-9-19(16-27)21(23-25-11-13-29-23)26-22(28)18-7-2-1-3-8-18/h1-4,6-8,10-11,13-14,19,21H,5,9,12,15-16H2,(H,26,28).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?
N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110217408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).