N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

C15H19ClN4O — CID 65460986

IUPACN-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1(C)CNCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-15(2)10-18-5-6-20(15)9-14(21)19-12-4-3-11(8-17)13(16)7-12/h3-4,7,18H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyJMXDAUVWODKGMW-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.83
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (PubChem CID 65460986) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
PubChem CID65460986
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1(C)CNCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-15(2)10-18-5-6-20(15)9-14(21)19-12-4-3-11(8-17)13(16)7-12/h3-4,7,18H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyJMXDAUVWODKGMW-UHFFFAOYSA-N
XLogP1.83
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 65462375
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181965
N-(4-cyanophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65462769
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512699
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chlorophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65462766
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (CID 65460986) is N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide is CC1(C)CNCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The InChIKey is JMXDAUVWODKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(2)10-18-5-6-20(15)9-14(21)19-12-4-3-11(8-17)13(16)7-12/h3-4,7,18H,5-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide has a molecular weight of 306.80 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65460986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).