N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

C23H24FN3OS — CID 24820094

IUPACN-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1
InChIInChI=1S/C23H24FN3OS/c1-16-25-13-22(29-16)15-27-11-3-5-19(14-27)23(28)26-21-9-7-17(8-10-21)18-4-2-6-20(24)12-18/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28)
InChIKeyBKMXHRJXCXNEQV-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.11
Rot. Bonds5

About N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 24820094) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID24820094
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1
InChIInChI=1S/C23H24FN3OS/c1-16-25-13-22(29-16)15-27-11-3-5-19(14-27)23(28)26-21-9-7-17(8-10-21)18-4-2-6-20(24)12-18/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28)
InChIKeyBKMXHRJXCXNEQV-UHFFFAOYSA-N
XLogP5.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (CID 24820094) is N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)s1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is BKMXHRJXCXNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c1-16-25-13-22(29-16)15-27-11-3-5-19(14-27)23(28)26-21-9-7-17(8-10-21)18-4-2-6-20(24)12-18/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24820094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).