2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C20H23N3O4 — CID 54794685

IUPAC2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CC1NCCNC1=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c24-19(14-18-20(25)22-10-9-21-18)23-15-5-4-8-17(13-15)27-12-11-26-16-6-2-1-3-7-16/h1-8,13,18,21H,9-12,14H2,(H,22,25)(H,23,24)
InChIKeyPHONXGSCCXJXPK-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.56
Rot. Bonds8

About 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54794685) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54794685
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CC1NCCNC1=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c24-19(14-18-20(25)22-10-9-21-18)23-15-5-4-8-17(13-15)27-12-11-26-16-6-2-1-3-7-16/h1-8,13,18,21H,9-12,14H2,(H,22,25)(H,23,24)
InChIKeyPHONXGSCCXJXPK-UHFFFAOYSA-N
XLogP1.56
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 54794634
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54812430
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54794685) is 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is O=C(CC1NCCNC1=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is PHONXGSCCXJXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-19(14-18-20(25)22-10-9-21-18)23-15-5-4-8-17(13-15)27-12-11-26-16-6-2-1-3-7-16/h1-8,13,18,21H,9-12,14H2,(H,22,25)(H,23,24).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54794685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).