3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one

C20H25NO3 — CID 75243230

IUPAC3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCOc1cc2c(cc1OC)CCC(C=CC(=O)N1CCCCC1)=C2
InChIInChI=1S/C20H25NO3/c1-23-18-13-16-8-6-15(12-17(16)14-19(18)24-2)7-9-20(22)21-10-4-3-5-11-21/h7,9,12-14H,3-6,8,10-11H2,1-2H3
InChIKeyWAQIPRQDUBHCAW-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.60
Rot. Bonds4

About 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one

3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 75243230) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID75243230
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCOc1cc2c(cc1OC)CCC(C=CC(=O)N1CCCCC1)=C2
InChIInChI=1S/C20H25NO3/c1-23-18-13-16-8-6-15(12-17(16)14-19(18)24-2)7-9-20(22)21-10-4-3-5-11-21/h7,9,12-14H,3-6,8,10-11H2,1-2H3
InChIKeyWAQIPRQDUBHCAW-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enamide
CID 68980877
(E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1051540
1-(azepan-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 102603138
3-(3,4,5-trimethoxyphenyl)-1-[6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,6-diazecan-1-yl]prop-2-en-1-one
CID 162851522
(E)-3-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 51058065
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 86014183
(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxylic acid
CID 10106763
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
(2E,4E,6E)-1-piperidin-1-yl-7-(3,4,5-trimethoxyphenyl)hepta-2,4,6-trien-1-one
CID 118715509
2-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 6213499

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one (CID 75243230) is 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one is COc1cc2c(cc1OC)CCC(C=CC(=O)N1CCCCC1)=C2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is WAQIPRQDUBHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-23-18-13-16-8-6-15(12-17(16)14-19(18)24-2)7-9-20(22)21-10-4-3-5-11-21/h7,9,12-14H,3-6,8,10-11H2,1-2H3.
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 327.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 75243230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).