N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide

C13H17N3O3 — CID 2954608

IUPACN-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C13H17N3O3/c1-19-10-4-2-3-9(7-10)16-12(17)8-11-13(18)15-6-5-14-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyBSISTFKYVAIKDK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.11
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide

N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2954608) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2954608
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C13H17N3O3/c1-19-10-4-2-3-9(7-10)16-12(17)8-11-13(18)15-6-5-14-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyBSISTFKYVAIKDK-UHFFFAOYSA-N
XLogP0.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
Ucm 793
CID 24750192
N-(3-methoxyphenyl)pivalamide
CID 546358
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
N-(4-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2843603

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2954608) is N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is COc1cccc(NC(=O)CC2NCCNC2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is BSISTFKYVAIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-10-4-2-3-9(7-10)16-12(17)8-11-13(18)15-6-5-14-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2954608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).