N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C18H24N6O4 — CID 72844684

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nc(N)n[nH]2)CC1
InChIInChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-12(7-9-24)28-14-5-3-2-4-13(14)17(26)20-10-15-21-18(19)23-22-15/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23)
InChIKeyOFYLYQDRQIIWSH-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.33
Rot. Bonds7

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 72844684) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID72844684
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nc(N)n[nH]2)CC1
InChIInChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-12(7-9-24)28-14-5-3-2-4-13(14)17(26)20-10-15-21-18(19)23-22-15/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23)
InChIKeyOFYLYQDRQIIWSH-UHFFFAOYSA-N
XLogP0.33
TPSA135.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72925930
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42508020
2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 72926932
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42241404
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827723
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 72844684) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nc(N)n[nH]2)CC1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is OFYLYQDRQIIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-12(7-9-24)28-14-5-3-2-4-13(14)17(26)20-10-15-21-18(19)23-22-15/h2-5,12H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 388.43 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72844684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).