N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide

C24H27N5O3 — CID 118738112

IUPACN-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)n(C)n2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)25-19-10-8-9-18(15-19)23-26-24(28(2)27-23)21-13-6-7-14-29(21)22(31)16-32-20-11-4-3-5-12-20/h3-5,8-12,15,21H,6-7,13-14,16H2,1-2H3,(H,25,30)/t21-/m1/s1
InChIKeyOSZHSVICFXXLPV-OAQYLSRUSA-N
MW433.51 g/mol
LogP3.57
Rot. Bonds6

About N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide

N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide (PubChem CID 118738112) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide
PubChem CID118738112
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)n(C)n2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)25-19-10-8-9-18(15-19)23-26-24(28(2)27-23)21-13-6-7-14-29(21)22(31)16-32-20-11-4-3-5-12-20/h3-5,8-12,15,21H,6-7,13-14,16H2,1-2H3,(H,25,30)/t21-/m1/s1
InChIKeyOSZHSVICFXXLPV-OAQYLSRUSA-N
XLogP3.57
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 69029082
N-[4-fluoro-3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 68687472
N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide
CID 118738128
N-[4-[4-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 67356960
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
N-[2-fluoro-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686403
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
1-[(2R)-2-[3-(3,4-dichlorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68688978
1-(2-phenoxyacetyl)-2-[3-[3-[(sulfinoamino)methyl]phenyl]-1H-1,2,4-triazol-5-yl]piperidine
CID 69029166
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263652

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide (CID 118738112) is N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)n(C)n2)c1.
What is the InChIKey of N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide?
The InChIKey is OSZHSVICFXXLPV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(30)25-19-10-8-9-18(15-19)23-26-24(28(2)27-23)21-13-6-7-14-29(21)22(31)16-32-20-11-4-3-5-12-20/h3-5,8-12,15,21H,6-7,13-14,16H2,1-2H3,(H,25,30)/t21-/m1/s1.
What are the key properties of N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide?
N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 118738112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).