1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one

C24H23NO2 — CID 72688372

IUPAC1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C24H23NO2/c26-23-13-15-25(16-14-23)22-10-8-20(9-11-22)24(27)12-6-18-5-7-19-3-1-2-4-21(19)17-18/h1-12,17,23,26H,13-16H2
InChIKeyRGEXMZKVDPPNJA-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.70
Rot. Bonds4

About 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one

1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 72688372) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID72688372
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C24H23NO2/c26-23-13-15-25(16-14-23)22-10-8-20(9-11-22)24(27)12-6-18-5-7-19-3-1-2-4-21(19)17-18/h1-12,17,23,26H,13-16H2
InChIKeyRGEXMZKVDPPNJA-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyphenyl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 72688449
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 111337709
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one
CID 72692966
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72692960
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 166217284
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one (CID 72688372) is 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is RGEXMZKVDPPNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-23-13-15-25(16-14-23)22-10-8-20(9-11-22)24(27)12-6-18-5-7-19-3-1-2-4-21(19)17-18/h1-12,17,23,26H,13-16H2.
What are the key properties of 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 357.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 72688372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).