N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide

C19H25N5O3 — CID 56760663

IUPACN-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCn1c(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nn(C)c1=O
InChIInChI=1S/C19H25N5O3/c1-3-24-17(21-22(2)19(24)27)14-9-11-23(12-10-14)16(25)13-20-18(26)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyVVAQWYBDKHGLNC-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.74
Rot. Bonds5

About N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 56760663) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID56760663
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCn1c(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nn(C)c1=O
InChIInChI=1S/C19H25N5O3/c1-3-24-17(21-22(2)19(24)27)14-9-11-23(12-10-14)16(25)13-20-18(26)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyVVAQWYBDKHGLNC-UHFFFAOYSA-N
XLogP0.74
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
CID 56701492
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
4-benzyl-2-methyl-5-[1-[(2R)-2-methylpentanoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 95229112
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115193

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 56760663) is N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide is CCn1c(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)nn(C)c1=O.
What is the InChIKey of N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is VVAQWYBDKHGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-24-17(21-22(2)19(24)27)14-9-11-23(12-10-14)16(25)13-20-18(26)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,20,26).
What are the key properties of N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 56760663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).