naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C24H24N2O — CID 3958448

IUPACnaphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O/c27-24(23-13-12-21-10-4-5-11-22(21)19-23)26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,19H,14-18H2
InChIKeyVZDHKMSMVUZCOX-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.31
Rot. Bonds4

About naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 3958448) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID3958448
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Namenaphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O/c27-24(23-13-12-21-10-4-5-11-22(21)19-23)26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,19H,14-18H2
InChIKeyVZDHKMSMVUZCOX-UHFFFAOYSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17108671
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 3958448) is naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is VZDHKMSMVUZCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(23-13-12-21-10-4-5-11-22(21)19-23)26-17-15-25(16-18-26)14-6-9-20-7-2-1-3-8-20/h1-13,19H,14-18H2.
What are the key properties of naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3958448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).