1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one

C17H17N3O3 — CID 70741081

IUPAC1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1=O
InChIInChI=1S/C17H17N3O3/c1-12-4-2-3-5-14(12)20-9-8-19(11-16(20)22)17(23)13-6-7-15(21)18-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyGHYUEIOSMKUPPN-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.17
Rot. Bonds2

About 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one

1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one (PubChem CID 70741081) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
PubChem CID70741081
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1=O
InChIInChI=1S/C17H17N3O3/c1-12-4-2-3-5-14(12)20-9-8-19(11-16(20)22)17(23)13-6-7-15(21)18-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,21)
InChIKeyGHYUEIOSMKUPPN-UHFFFAOYSA-N
XLogP1.17
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one
CID 70715907
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one
CID 78081955
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70746172
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one (CID 70741081) is 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The InChIKey is GHYUEIOSMKUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-4-2-3-5-14(12)20-9-8-19(11-16(20)22)17(23)13-6-7-15(21)18-10-13/h2-7,10H,8-9,11H2,1H3,(H,18,21).
What are the key properties of 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one has a molecular weight of 311.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70741081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).