2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide

C18H28N4O2 — CID 60503858

IUPAC2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-20(4-2)15-18(24)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23)
InChIKeyACFDSFVPXMBNSR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 60503858) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID60503858
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-20(4-2)15-18(24)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23)
InChIKeyACFDSFVPXMBNSR-UHFFFAOYSA-N
XLogP1.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
CID 8563436
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide (CID 60503858) is 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide is CCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ACFDSFVPXMBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-20(4-2)15-18(24)22-12-10-21(11-13-22)14-17(23)19-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 332.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 60503858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).