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

C23H24FN3OS — CID 45234407

IUPACN-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)s1
InChIInChI=1S/C23H24FN3OS/c1-16-25-13-22(29-16)15-27-11-3-5-19(14-27)23(28)26-21-6-2-4-18(12-21)17-7-9-20(24)10-8-17/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28)
InChIKeyJPGMMQBZPNCMNE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.11
Rot. Bonds5

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

N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 45234407) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID45234407
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)s1
InChIInChI=1S/C23H24FN3OS/c1-16-25-13-22(29-16)15-27-11-3-5-19(14-27)23(28)26-21-6-2-4-18(12-21)17-7-9-20(24)10-8-17/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28)
InChIKeyJPGMMQBZPNCMNE-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-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide (CID 45234407) is N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CN2CCCC(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)s1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JPGMMQBZPNCMNE-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)26-21-6-2-4-18(12-21)17-7-9-20(24)10-8-17/h2,4,6-10,12-13,19H,3,5,11,14-15H2,1H3,(H,26,28).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[3-(4-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-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45234407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).