naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone

C18H20N2O — CID 17108671

IUPACnaphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O/c1-2-9-19-10-12-20(13-11-19)18(21)17-8-7-15-5-3-4-6-16(15)14-17/h2-8,14H,1,9-13H2
InChIKeyHJTAUYCDCSWDJL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.78
Rot. Bonds3

About naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone

naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 17108671) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID17108671
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Namenaphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O/c1-2-9-19-10-12-20(13-11-19)18(21)17-8-7-15-5-3-4-6-16(15)14-17/h2-8,14H,1,9-13H2
InChIKeyHJTAUYCDCSWDJL-UHFFFAOYSA-N
XLogP2.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604
1,3-benzodioxol-5-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17105175
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047
2-naphthalen-2-yloxy-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749780
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 137292412
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone (CID 17108671) is naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is HJTAUYCDCSWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-9-19-10-12-20(13-11-19)18(21)17-8-7-15-5-3-4-6-16(15)14-17/h2-8,14H,1,9-13H2.
What are the key properties of naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone?
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 17108671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).