N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

C16H23N3O3 — CID 8549384

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(OCCNC(=O)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C16H23N3O3/c1-12-3-4-14(13(2)9-12)22-8-6-18-16(21)11-19-7-5-17-15(20)10-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQSGQRUUIEQLNQB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.23
Rot. Bonds6

About N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8549384) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8549384
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(OCCNC(=O)CN2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C16H23N3O3/c1-12-3-4-14(13(2)9-12)22-8-6-18-16(21)11-19-7-5-17-15(20)10-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQSGQRUUIEQLNQB-UHFFFAOYSA-N
XLogP0.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
CID 8548656
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
4-[3-(2,4-dimethylphenoxy)propanoyl]-1,4-diazepan-2-one
CID 62897014
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-[2-(2,4-dimethylphenoxy)ethyl]-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 24549684
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 91779133
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8549384) is N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is Cc1ccc(OCCNC(=O)CN2CCNC(=O)C2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is QSGQRUUIEQLNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-3-4-14(13(2)9-12)22-8-6-18-16(21)11-19-7-5-17-15(20)10-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).