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

C23H25N5O3 — CID 68688735

IUPACN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O3/c1-16(29)24-18-9-7-8-17(14-18)22-25-23(27-26-22)20-12-5-6-13-28(20)21(30)15-31-19-10-3-2-4-11-19/h2-4,7-11,14,20H,5-6,12-13,15H2,1H3,(H,24,29)(H,25,26,27)/t20-/m1/s1
InChIKeyKLCURDNWGRHKIP-HXUWFJFHSA-N
MW419.49 g/mol
LogP3.56
Rot. Bonds6

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

N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide (PubChem CID 68688735) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
PubChem CID68688735
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O3/c1-16(29)24-18-9-7-8-17(14-18)22-25-23(27-26-22)20-12-5-6-13-28(20)21(30)15-31-19-10-3-2-4-11-19/h2-4,7-11,14,20H,5-6,12-13,15H2,1H3,(H,24,29)(H,25,26,27)/t20-/m1/s1
InChIKeyKLCURDNWGRHKIP-HXUWFJFHSA-N
XLogP3.56
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]acetamide?
The IUPAC name of N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide (CID 68688735) is N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]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]acetamide?
The canonical SMILES for N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-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]acetamide?
The InChIKey is KLCURDNWGRHKIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16(29)24-18-9-7-8-17(14-18)22-25-23(27-26-22)20-12-5-6-13-28(20)21(30)15-31-19-10-3-2-4-11-19/h2-4,7-11,14,20H,5-6,12-13,15H2,1H3,(H,24,29)(H,25,26,27)/t20-/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]acetamide?
N-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.56, 6 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]acetamide is sourced from PubChem (CID 68688735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).