N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

C16H19N5O3 — CID 125161657

IUPACN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1
InChIInChI=1S/C16H19N5O3/c1-12(22)20-5-6-24-15(9-20)8-17-16(23)13-3-2-4-14(7-13)21-10-18-19-11-21/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,17,23)/t15-/m1/s1
InChIKeyKJYLPKYJWZXKNF-OAHLLOKOSA-N
MW329.36 g/mol
LogP0.24
Rot. Bonds4

About N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 125161657) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID125161657
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1
InChIInChI=1S/C16H19N5O3/c1-12(22)20-5-6-24-15(9-20)8-17-16(23)13-3-2-4-14(7-13)21-10-18-19-11-21/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,17,23)/t15-/m1/s1
InChIKeyKJYLPKYJWZXKNF-OAHLLOKOSA-N
XLogP0.24
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea
CID 118764614
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 146042664
[2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72871043
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97188851

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 125161657) is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is CC(=O)N1CCO[C@H](CNC(=O)c2cccc(-n3cnnc3)c2)C1.
What is the InChIKey of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KJYLPKYJWZXKNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12(22)20-5-6-24-15(9-20)8-17-16(23)13-3-2-4-14(7-13)21-10-18-19-11-21/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,17,23)/t15-/m1/s1.
What are the key properties of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 125161657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).