N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide

C16H23N3O3 — CID 126789862

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCNCC2=O)cc1C
InChIInChI=1S/C16H23N3O3/c1-12-8-13(4-5-14(12)22-3)10-18(2)16(21)11-19-7-6-17-9-15(19)20/h4-5,8,17H,6-7,9-11H2,1-3H3
InChIKeySPMSVEQBMXDZKY-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.39
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide

N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 126789862) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID126789862
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCNCC2=O)cc1C
InChIInChI=1S/C16H23N3O3/c1-12-8-13(4-5-14(12)22-3)10-18(2)16(21)11-19-7-6-17-9-15(19)20/h4-5,8,17H,6-7,9-11H2,1-3H3
InChIKeySPMSVEQBMXDZKY-UHFFFAOYSA-N
XLogP0.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide
CID 167980697
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 55611938
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
CID 82296410
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 72918814
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxopiperazin-1-yl)acetamide;dihydrochloride
CID 122148337

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide (CID 126789862) is N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is COc1ccc(CN(C)C(=O)CN2CCNCC2=O)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is SPMSVEQBMXDZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-8-13(4-5-14(12)22-3)10-18(2)16(21)11-19-7-6-17-9-15(19)20/h4-5,8,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide?
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 126789862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).