2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide

C20H18N4O4 — CID 70786885

IUPAC2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide
SMILESN#Cc1ccc(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C20H18N4O4/c21-11-14-4-6-16(7-5-14)24-9-8-23(12-19(24)26)20(27)15-2-1-3-17(10-15)28-13-18(22)25/h1-7,10H,8-9,12-13H2,(H2,22,25)
InChIKeyKTSSNBSGRCVANT-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.91
Rot. Bonds5

About 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide

2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 70786885) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide
PubChem CID70786885
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide
SMILESN#Cc1ccc(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C20H18N4O4/c21-11-14-4-6-16(7-5-14)24-9-8-23(12-19(24)26)20(27)15-2-1-3-17(10-15)28-13-18(22)25/h1-7,10H,8-9,12-13H2,(H2,22,25)
InChIKeyKTSSNBSGRCVANT-UHFFFAOYSA-N
XLogP0.91
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
4-[4-(2-ethylpyrimidine-5-carbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 70706711
4-[3-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]propoxy]benzamide
CID 70763038
2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 24503636
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
CID 70753051
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(quinoline-6-carbonyl)piperazin-2-one
CID 15987279

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide (CID 70786885) is 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide is N#Cc1ccc(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2=O)cc1.
What is the InChIKey of 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is KTSSNBSGRCVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-11-14-4-6-16(7-5-14)24-9-8-23(12-19(24)26)20(27)15-2-1-3-17(10-15)28-13-18(22)25/h1-7,10H,8-9,12-13H2,(H2,22,25).
What are the key properties of 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide?
2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 378.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 70786885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).