2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile

C18H19N3O — CID 146403454

IUPAC2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CC#N)ccc3c2)CC1
InChIInChI=1S/C18H19N3O/c1-20-8-10-21(11-9-20)18(22)17-5-4-15-12-14(6-7-19)2-3-16(15)13-17/h2-5,12-13H,6,8-11H2,1H3
InChIKeyGQMBFZKHIRMTPG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.29
Rot. Bonds2

About 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile

2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile (PubChem CID 146403454) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
PubChem CID146403454
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CC#N)ccc3c2)CC1
InChIInChI=1S/C18H19N3O/c1-20-8-10-21(11-9-20)18(22)17-5-4-15-12-14(6-7-19)2-3-16(15)13-17/h2-5,12-13H,6,8-11H2,1H3
InChIKeyGQMBFZKHIRMTPG-UHFFFAOYSA-N
XLogP2.29
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
3-[4-[6-(cyanomethyl)naphthalene-2-carbonyl]piperazin-1-yl]propyl acetate
CID 146403414
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
CID 151453562
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 55163246

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The IUPAC name of 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile (CID 146403454) is 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile is CN1CCN(C(=O)c2ccc3cc(CC#N)ccc3c2)CC1.
What is the InChIKey of 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
The InChIKey is GQMBFZKHIRMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20-8-10-21(11-9-20)18(22)17-5-4-15-12-14(6-7-19)2-3-16(15)13-17/h2-5,12-13H,6,8-11H2,1H3.
What are the key properties of 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile?
2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile is sourced from PubChem (CID 146403454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).