2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile

C17H17N3O — CID 153338332

IUPAC2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C17H17N3O/c18-6-5-13-1-2-15-12-16(4-3-14(15)11-13)17(21)20-9-7-19-8-10-20/h1-4,11-12,19H,5,7-10H2
InChIKeyKZSLDXXVGMWMFO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds2

About 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile

2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile (PubChem CID 153338332) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
PubChem CID153338332
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C17H17N3O/c18-6-5-13-1-2-15-12-16(4-3-14(15)11-13)17(21)20-9-7-19-8-10-20/h1-4,11-12,19H,5,7-10H2
InChIKeyKZSLDXXVGMWMFO-UHFFFAOYSA-N
XLogP1.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 146403454
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone
CID 146407856
3-[4-[6-(cyanomethyl)naphthalene-2-carbonyl]piperazin-1-yl]propyl acetate
CID 146403414
2-(6-acetylnaphthalen-2-yl)acetonitrile
CID 13404143
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604
1,4-diazepan-1-yl(isoquinolin-6-yl)methanone
CID 110485142
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254

Frequently Asked Questions

What is the IUPAC name of 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The IUPAC name of 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile (CID 153338332) is 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile is N#CCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1.
What is the InChIKey of 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The InChIKey is KZSLDXXVGMWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-6-5-13-1-2-15-12-16(4-3-14(15)11-13)17(21)20-9-7-19-8-10-20/h1-4,11-12,19H,5,7-10H2.
What are the key properties of 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile has a molecular weight of 279.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile is sourced from PubChem (CID 153338332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).