N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide

C15H22N4O3 — CID 91779133

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C15H22N4O3/c1-10-6-11(2)18-15(22-3)12(10)7-17-14(21)9-19-5-4-16-13(20)8-19/h6H,4-5,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyVUQPQGDQTLRGIM-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.24
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 91779133) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID91779133
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C15H22N4O3/c1-10-6-11(2)18-15(22-3)12(10)7-17-14(21)9-19-5-4-16-13(20)8-19/h6H,4-5,7-9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyVUQPQGDQTLRGIM-UHFFFAOYSA-N
XLogP-0.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549384
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95189619
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 86283839
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 56796707
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 91776501

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 91779133) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is COc1nc(C)cc(C)c1CNC(=O)CN1CCNC(=O)C1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is VUQPQGDQTLRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-6-11(2)18-15(22-3)12(10)7-17-14(21)9-19-5-4-16-13(20)8-19/h6H,4-5,7-9H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 91779133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).