4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C16H25N3O3 — CID 56896852

IUPAC4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCOc1c[nH]c(CN2CCN(CC(C)C)C(=O)C2C)cc1=O
InChIInChI=1S/C16H25N3O3/c1-11(2)9-19-6-5-18(12(3)16(19)21)10-13-7-14(20)15(22-4)8-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyWOIQJLRVDZKYCL-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.07
Rot. Bonds5

About 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 56896852) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID56896852
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCOc1c[nH]c(CN2CCN(CC(C)C)C(=O)C2C)cc1=O
InChIInChI=1S/C16H25N3O3/c1-11(2)9-19-6-5-18(12(3)16(19)21)10-13-7-14(20)15(22-4)8-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKeyWOIQJLRVDZKYCL-UHFFFAOYSA-N
XLogP1.07
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 56896852) is 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is COc1c[nH]c(CN2CCN(CC(C)C)C(=O)C2C)cc1=O.
What is the InChIKey of 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is WOIQJLRVDZKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)9-19-6-5-18(12(3)16(19)21)10-13-7-14(20)15(22-4)8-17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,20).
What are the key properties of 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 307.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 56896852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).