2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

C21H22N4O3 — CID 24503636

IUPAC2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESN#Cc1ccc(CN2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c22-13-16-1-3-17(4-2-16)14-24-9-11-25(12-10-24)21(27)18-5-7-19(8-6-18)28-15-20(23)26/h1-8H,9-12,14-15H2,(H2,23,26)
InChIKeyFPBRZRVKCCKEDC-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.38
Rot. Bonds6

About 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide

2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 24503636) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID24503636
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
SMILESN#Cc1ccc(CN2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c22-13-16-1-3-17(4-2-16)14-24-9-11-25(12-10-24)21(27)18-5-7-19(8-6-18)28-15-20(23)26/h1-8H,9-12,14-15H2,(H2,23,26)
InChIKeyFPBRZRVKCCKEDC-UHFFFAOYSA-N
XLogP1.38
TPSA99.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
4-[[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile
CID 17405678
4-[[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 51331648
4-[[4-[2-(4-acetylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31342765
4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 9109359
4-[[4-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 46488101
4-[[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755711
4-[[4-(4-quinolin-8-ylbenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 129042843
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide (CID 24503636) is 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is N#Cc1ccc(CN2CCN(C(=O)c3ccc(OCC(N)=O)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is FPBRZRVKCCKEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-13-16-1-3-17(4-2-16)14-24-9-11-25(12-10-24)21(27)18-5-7-19(8-6-18)28-15-20(23)26/h1-8H,9-12,14-15H2,(H2,23,26).
What are the key properties of 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide?
2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 24503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).