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

C19H29N3O3 — CID 54794634

IUPACN-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C19H29N3O3/c1-2-3-4-5-6-12-25-16-9-7-8-15(13-16)22-18(23)14-17-19(24)21-11-10-20-17/h7-9,13,17,20H,2-6,10-12,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyUVTHJKZVENRCDV-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.45
Rot. Bonds10

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

N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 54794634) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID54794634
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C19H29N3O3/c1-2-3-4-5-6-12-25-16-9-7-8-15(13-16)22-18(23)14-17-19(24)21-11-10-20-17/h7-9,13,17,20H,2-6,10-12,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyUVTHJKZVENRCDV-UHFFFAOYSA-N
XLogP2.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-[3-(2-methylpropoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794746
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
(3-hexoxyphenyl)urea
CID 102387253
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
CID 119745749
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 54794634) is N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is CCCCCCCOc1cccc(NC(=O)CC2NCCNC2=O)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is UVTHJKZVENRCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-3-4-5-6-12-25-16-9-7-8-15(13-16)22-18(23)14-17-19(24)21-11-10-20-17/h7-9,13,17,20H,2-6,10-12,14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.45, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 54794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).