N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C17H22N6O3 — CID 46990759

IUPACN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n1
InChIInChI=1S/C17H22N6O3/c1-4-21-11-18-16(20-21)19-17(25)22-8-9-23(15(24)12(22)2)13-6-5-7-14(10-13)26-3/h5-7,10-12H,4,8-9H2,1-3H3,(H,19,20,25)
InChIKeyTUIIIZNJQXMTKG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.58
Rot. Bonds4

About N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 46990759) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID46990759
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n1
InChIInChI=1S/C17H22N6O3/c1-4-21-11-18-16(20-21)19-17(25)22-8-9-23(15(24)12(22)2)13-6-5-7-14(10-13)26-3/h5-7,10-12H,4,8-9H2,1-3H3,(H,19,20,25)
InChIKeyTUIIIZNJQXMTKG-UHFFFAOYSA-N
XLogP1.58
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-(1-ethyl-1,2,4-triazol-3-yl)-2-methyl-3-oxo-4-phenylpiperazine-1-carboxamide
CID 94188117
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
4-(3-methoxyphenyl)-2-methyl-3-oxo-N-[3-(triazol-1-yl)propyl]piperazine-1-carboxamide
CID 121499817
(2S)-N-[3-(furan-2-yl)propyl]-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 125434982
1-(3-methoxyphenyl)-3-methyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-2-one
CID 131913529
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(3-methoxyphenyl)-3-methyl-4-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)piperazin-2-one
CID 176506109
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 46990759) is N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is CCn1cnc(NC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2C)n1.
What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is TUIIIZNJQXMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-4-21-11-18-16(20-21)19-17(25)22-8-9-23(15(24)12(22)2)13-6-5-7-14(10-13)26-3/h5-7,10-12H,4,8-9H2,1-3H3,(H,19,20,25).
What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 46990759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).