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

C24H27N5O3 — CID 118738128

IUPACN-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)25-15-18-8-7-9-19(14-18)23-26-24(28-27-23)21-12-5-6-13-29(21)22(31)16-32-20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3,(H,25,30)(H,26,27,28)/t21-/m1/s1
InChIKeyVHQHVAVQTHELIQ-OAQYLSRUSA-N
MW433.51 g/mol
LogP3.24
Rot. Bonds7

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

N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide (PubChem CID 118738128) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide
PubChem CID118738128
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C24H27N5O3/c1-17(30)25-15-18-8-7-9-19(14-18)23-26-24(28-27-23)21-12-5-6-13-29(21)22(31)16-32-20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3,(H,25,30)(H,26,27,28)/t21-/m1/s1
InChIKeyVHQHVAVQTHELIQ-OAQYLSRUSA-N
XLogP3.24
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(2-phenoxyacetyl)-2-[3-[3-[(sulfinoamino)methyl]phenyl]-1H-1,2,4-triazol-5-yl]piperidine
CID 69029166
1-[(2R)-2-[3-(3,4-dichlorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68688978
2-phenoxy-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 68687362
1-[(2R)-2-[3-(3,5-difluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687172
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
2-phenoxy-1-[(2R)-2-[3-[3-(1,3-thiazolidine-3-carbonyl)phenyl]-1H-1,2,4-triazol-5-yl]piperidin-1-yl]ethanone
CID 68686161
N-[4-fluoro-3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 68687472
1-[(2R)-2-[3-(2,3-dihydro-1H-indol-6-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 69263763
N-(2-cyanoethyl)-N-cyclopropyl-3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]benzamide
CID 68686453
N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
CID 69029082
N-[3-[1-methyl-5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-triazol-3-yl]phenyl]acetamide
CID 118738112
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide (CID 118738128) is N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide?
The InChIKey is VHQHVAVQTHELIQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(30)25-15-18-8-7-9-19(14-18)23-26-24(28-27-23)21-12-5-6-13-29(21)22(31)16-32-20-10-3-2-4-11-20/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3,(H,25,30)(H,26,27,28)/t21-/m1/s1.
What are the key properties of N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide?
N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 118738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).