1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

C17H21N5O3 — CID 70740670

IUPAC1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESCOc1ccccc1N1CC(C)N(C(=O)CCn2cncn2)CC1=O
InChIInChI=1S/C17H21N5O3/c1-13-9-22(14-5-3-4-6-15(14)25-2)17(24)10-21(13)16(23)7-8-20-12-18-11-19-20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyPEFKQPWJVZDZLV-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.94
Rot. Bonds5

About 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 70740670) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
PubChem CID70740670
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESCOc1ccccc1N1CC(C)N(C(=O)CCn2cncn2)CC1=O
InChIInChI=1S/C17H21N5O3/c1-13-9-22(14-5-3-4-6-15(14)25-2)17(24)10-21(13)16(23)7-8-20-12-18-11-19-20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyPEFKQPWJVZDZLV-UHFFFAOYSA-N
XLogP0.94
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one
CID 70759783
(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
CID 96575287
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 24791105
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94176770
4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 70709347
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 55882138
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
(5S)-4-(2-methoxy-5-methylbenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96575127

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (CID 70740670) is 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is COc1ccccc1N1CC(C)N(C(=O)CCn2cncn2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is PEFKQPWJVZDZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-13-9-22(14-5-3-4-6-15(14)25-2)17(24)10-21(13)16(23)7-8-20-12-18-11-19-20/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 343.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 70740670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).