2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C18H28N4O4 — CID 30544629

IUPAC2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C18H28N4O4/c1-13(2)19-18(25)12-22-11-17(26-4)16(24)9-15(22)10-20-5-7-21(8-6-20)14(3)23/h9,11,13H,5-8,10,12H2,1-4H3,(H,19,25)
InChIKeyFWIUIZRTIUKDDC-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.05
Rot. Bonds6

About 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 30544629) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID30544629
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O
InChIInChI=1S/C18H28N4O4/c1-13(2)19-18(25)12-22-11-17(26-4)16(24)9-15(22)10-20-5-7-21(8-6-20)14(3)23/h9,11,13H,5-8,10,12H2,1-4H3,(H,19,25)
InChIKeyFWIUIZRTIUKDDC-UHFFFAOYSA-N
XLogP0.05
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 18566938
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 97266257
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
N-cyclopentyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
CID 44826930
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 71703582
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 27452045
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
CID 18566961
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 30544629) is 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is COc1cn(CC(=O)NC(C)C)c(CN2CCN(C(C)=O)CC2)cc1=O.
What is the InChIKey of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is FWIUIZRTIUKDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(2)19-18(25)12-22-11-17(26-4)16(24)9-15(22)10-20-5-7-21(8-6-20)14(3)23/h9,11,13H,5-8,10,12H2,1-4H3,(H,19,25).
What are the key properties of 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 364.45 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 30544629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).