N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide

C25H29FN4OS — CID 25061547

IUPACN-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCNC(Cc1ccccc1)C(=O)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN4OS/c1-27-23(16-19-8-4-2-5-9-19)24(31)30(22-12-10-20(26)11-13-22)17-21-18-32-25(28-21)29-14-6-3-7-15-29/h2,4-5,8-13,18,23,27H,3,6-7,14-17H2,1H3
InChIKeyIONBXQALQOQSIG-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.64
Rot. Bonds8

About N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide

N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 25061547) has the molecular formula C25H29FN4OS and a molecular weight of 452.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID25061547
Molecular FormulaC25H29FN4OS
Molecular Weight452.60 g/mol
Exact Mass452.20
IUPAC NameN-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCNC(Cc1ccccc1)C(=O)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C25H29FN4OS/c1-27-23(16-19-8-4-2-5-9-19)24(31)30(22-12-10-20(26)11-13-22)17-21-18-32-25(28-21)29-14-6-3-7-15-29/h2,4-5,8-13,18,23,27H,3,6-7,14-17H2,1H3
InChIKeyIONBXQALQOQSIG-UHFFFAOYSA-N
XLogP4.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 25061547) is N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is CNC(Cc1ccccc1)C(=O)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is IONBXQALQOQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4OS/c1-27-23(16-19-8-4-2-5-9-19)24(31)30(22-12-10-20(26)11-13-22)17-21-18-32-25(28-21)29-14-6-3-7-15-29/h2,4-5,8-13,18,23,27H,3,6-7,14-17H2,1H3.
What are the key properties of N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 452.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(methylamino)-3-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 25061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).