N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

C19H22N3O3+ — CID 8962494

IUPACN-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)C[NH+]3CCNC(=O)C3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-2-6-16(7-3-14)25-17-8-4-15(5-9-17)21-19(24)13-22-11-10-20-18(23)12-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyWMYKLUQMQYGPLI-UHFFFAOYSA-O
MW340.40 g/mol
LogP0.74
Rot. Bonds5

About N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8962494) has the molecular formula C19H22N3O3+ and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8962494
Molecular FormulaC19H22N3O3+
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)C[NH+]3CCNC(=O)C3)cc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-2-6-16(7-3-14)25-17-8-4-15(5-9-17)21-19(24)13-22-11-10-20-18(23)12-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyWMYKLUQMQYGPLI-UHFFFAOYSA-O
XLogP0.74
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 2113838
N-(2-iodophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 2657029
2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8962122
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8962494) is N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is Cc1ccc(Oc2ccc(NC(=O)C[NH+]3CCNC(=O)C3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is WMYKLUQMQYGPLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O3/c1-14-2-6-16(7-3-14)25-17-8-4-15(5-9-17)21-19(24)13-22-11-10-20-18(23)12-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8962494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).