1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one

C18H18N6O3 — CID 28872391

IUPAC1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)c3nc4ncccn4n3)CC2=O)cc1
InChIInChI=1S/C18H18N6O3/c1-27-14-5-3-13(4-6-14)11-22-9-10-23(12-15(22)25)17(26)16-20-18-19-7-2-8-24(18)21-16/h2-8H,9-12H2,1H3
InChIKeyHOVUUBVXSTXCMR-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.62
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one (PubChem CID 28872391) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
PubChem CID28872391
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)c3nc4ncccn4n3)CC2=O)cc1
InChIInChI=1S/C18H18N6O3/c1-27-14-5-3-13(4-6-14)11-22-9-10-23(12-15(22)25)17(26)16-20-18-19-7-2-8-24(18)21-16/h2-8H,9-12H2,1H3
InChIKeyHOVUUBVXSTXCMR-UHFFFAOYSA-N
XLogP0.62
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,4-diazepan-2-one
CID 45160810
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-[(3-methoxyphenyl)methyl]-4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 70718784
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122564633
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
CID 26346067
2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 70774111
1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
4-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70781755

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one (CID 28872391) is 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one is COc1ccc(CN2CCN(C(=O)c3nc4ncccn4n3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The InChIKey is HOVUUBVXSTXCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-27-14-5-3-13(4-6-14)11-22-9-10-23(12-15(22)25)17(26)16-20-18-19-7-2-8-24(18)21-16/h2-8H,9-12H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one has a molecular weight of 366.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 28872391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).