N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide

C21H31N3O3 — CID 113160057

IUPACN-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
SMILESCOCCCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C21H31N3O3/c1-19(25)24(12-7-17-27-2)18-21(26)23-15-13-22(14-16-23)11-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-18H2,1-2H3/b10-6+
InChIKeyZSGZOJCGRWPHEQ-UXBLZVDNSA-N
MW373.50 g/mol
LogP1.73
Rot. Bonds9

About N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide

N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 113160057) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
PubChem CID113160057
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
SMILESCOCCCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C21H31N3O3/c1-19(25)24(12-7-17-27-2)18-21(26)23-15-13-22(14-16-23)11-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-18H2,1-2H3/b10-6+
InChIKeyZSGZOJCGRWPHEQ-UXBLZVDNSA-N
XLogP1.73
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
CID 113122869
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109276257
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylacetamide
CID 108986117
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide (CID 113160057) is N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide is COCCCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is ZSGZOJCGRWPHEQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-19(25)24(12-7-17-27-2)18-21(26)23-15-13-22(14-16-23)11-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-18H2,1-2H3/b10-6+.
What are the key properties of N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 113160057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).