N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide

C17H22N4O2 — CID 113180842

IUPACN-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CN(C(C)=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-19-7-9-20(10-8-19)17(23)13-21(14(2)22)16-6-4-5-15(11-16)12-18/h4-6,11H,3,7-10,13H2,1-2H3
InChIKeyCHTTZYTVLIHUTC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.08
Rot. Bonds4

About N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113180842) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113180842
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CN(C(C)=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-19-7-9-20(10-8-19)17(23)13-21(14(2)22)16-6-4-5-15(11-16)12-18/h4-6,11H,3,7-10,13H2,1-2H3
InChIKeyCHTTZYTVLIHUTC-UHFFFAOYSA-N
XLogP1.08
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909
N-(2,6-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179960
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
3-[methyl-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]amino]benzonitrile
CID 62981010
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113180842) is N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide is CCN1CCN(C(=O)CN(C(C)=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is CHTTZYTVLIHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-19-7-9-20(10-8-19)17(23)13-21(14(2)22)16-6-4-5-15(11-16)12-18/h4-6,11H,3,7-10,13H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113180842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).