N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide

C18H28N4O2 — CID 9433175

IUPACN-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-19-17(23)14-20(4-2)15-18(24)22-12-10-21(11-13-22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23)
InChIKeyMSEBHPHOBXWDLB-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.79
Rot. Bonds7

About N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide

N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide (PubChem CID 9433175) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
PubChem CID9433175
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-19-17(23)14-20(4-2)15-18(24)22-12-10-21(11-13-22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23)
InChIKeyMSEBHPHOBXWDLB-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[ethyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433381
N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433201
1,3-diethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110917320
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
2-[butyl(methyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002124
4-[4-[2-(diethylamino)acetyl]piperazin-1-yl]benzonitrile
CID 133287871
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683207
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide (CID 9433175) is N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide is CCNC(=O)CN(CC)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide?
The InChIKey is MSEBHPHOBXWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-19-17(23)14-20(4-2)15-18(24)22-12-10-21(11-13-22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide?
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide is sourced from PubChem (CID 9433175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).