(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one

C18H20N2O — CID 92921074

IUPAC(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESNC1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C18H20N2O/c19-16-10-12-20(13-11-16)18(21)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,16H,10-13,19H2/b9-8+
InChIKeyOTMYTZSILXIFFP-CMDGGOBGSA-N
MW280.37 g/mol
LogP2.80
Rot. Bonds2

About (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one

(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one (PubChem CID 92921074) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
PubChem CID92921074
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESNC1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1
InChIInChI=1S/C18H20N2O/c19-16-10-12-20(13-11-16)18(21)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,16H,10-13,19H2/b9-8+
InChIKeyOTMYTZSILXIFFP-CMDGGOBGSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 46409969
(E)-1-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 139906847
N-cyclopropyl-2-[4-[(Z)-3-naphthalen-1-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 97433139
(E)-3-naphthalen-1-yl-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 39487682
1-(3-aminopyrrolidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 126771868
1-(3-aminopyrrolidin-1-yl)-3-(2-bromophenyl)prop-2-en-1-one;hydrochloride
CID 126781859
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170
(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 24616169
(E)-3-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 54878339
ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 3943281
2-[2-[4-(3-naphthalen-1-ylprop-2-enoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2898084
(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 37165794

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one (CID 92921074) is (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one is NC1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1.
What is the InChIKey of (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is OTMYTZSILXIFFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16-10-12-20(13-11-16)18(21)9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,16H,10-13,19H2/b9-8+.
What are the key properties of (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one?
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 92921074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).