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

C25H26FN3O3S — CID 55993442

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C25H26FN3O3S/c26-22-11-5-4-7-18(22)15-21-16-27-25(33-21)28-24(31)19-8-6-13-29(17-19)23(30)12-14-32-20-9-2-1-3-10-20/h1-5,7,9-11,16,19H,6,8,12-15,17H2,(H,27,28,31)
InChIKeyIPWUAOLHDSHHAB-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.52
Rot. Bonds8

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

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55993442) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55993442
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C25H26FN3O3S/c26-22-11-5-4-7-18(22)15-21-16-27-25(33-21)28-24(31)19-8-6-13-29(17-19)23(30)12-14-32-20-9-2-1-3-10-20/h1-5,7,9-11,16,19H,6,8,12-15,17H2,(H,27,28,31)
InChIKeyIPWUAOLHDSHHAB-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55966662
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830777
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55993442) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is O=C(Nc1ncc(Cc2ccccc2F)s1)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is IPWUAOLHDSHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c26-22-11-5-4-7-18(22)15-21-16-27-25(33-21)28-24(31)19-8-6-13-29(17-19)23(30)12-14-32-20-9-2-1-3-10-20/h1-5,7,9-11,16,19H,6,8,12-15,17H2,(H,27,28,31).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55993442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).