N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide

C18H24N8O4 — CID 146128216

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1cnccc1N1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1
InChIInChI=1S/C18H24N8O4/c1-23(2)15(27)11-26-12-20-18(22-26)21-16(28)17(29)25-8-6-24(7-9-25)13-4-5-19-10-14(13)30-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22,28)
InChIKeyWEICSRXRIKYTMX-UHFFFAOYSA-N
MW416.44 g/mol
LogP-0.94
Rot. Bonds5

About N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide

N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 146128216) has the molecular formula C18H24N8O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID146128216
Molecular FormulaC18H24N8O4
Molecular Weight416.44 g/mol
Exact Mass416.19
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1cnccc1N1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1
InChIInChI=1S/C18H24N8O4/c1-23(2)15(27)11-26-12-20-18(22-26)21-16(28)17(29)25-8-6-24(7-9-25)13-4-5-19-10-14(13)30-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22,28)
InChIKeyWEICSRXRIKYTMX-UHFFFAOYSA-N
XLogP-0.94
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
CID 136542763
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 46990586
2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
CID 136548797
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501278
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502
N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108525435
4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
CID 167803049
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide (CID 146128216) is N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide is COc1cnccc1N1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is WEICSRXRIKYTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O4/c1-23(2)15(27)11-26-12-20-18(22-26)21-16(28)17(29)25-8-6-24(7-9-25)13-4-5-19-10-14(13)30-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,21,22,28).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 416.44 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 146128216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).