N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide

C15H20N4O — CID 60940005

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CN1CCNCC1
InChIInChI=1S/C15H20N4O/c1-18(11-14-4-2-13(10-16)3-5-14)15(20)12-19-8-6-17-7-9-19/h2-5,17H,6-9,11-12H2,1H3
InChIKeyWTIKPIKIERFNBO-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.42
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide

N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide (PubChem CID 60940005) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
PubChem CID60940005
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CN1CCNCC1
InChIInChI=1S/C15H20N4O/c1-18(11-14-4-2-13(10-16)3-5-14)15(20)12-19-8-6-17-7-9-19/h2-5,17H,6-9,11-12H2,1H3
InChIKeyWTIKPIKIERFNBO-UHFFFAOYSA-N
XLogP0.42
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-(1,4-diazepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119905975
2-(1,4-diazepan-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62837417
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[(4-cyanophenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 134054810
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655879
N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
CID 60944375
N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39861104
2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 61105027
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 39861955

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide (CID 60940005) is N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide is CN(Cc1ccc(C#N)cc1)C(=O)CN1CCNCC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide?
The InChIKey is WTIKPIKIERFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(11-14-4-2-13(10-16)3-5-14)15(20)12-19-8-6-17-7-9-19/h2-5,17H,6-9,11-12H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide?
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide has a molecular weight of 272.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60940005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).