1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one

C22H25NO2 — CID 121186934

IUPAC1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C22H25NO2/c1-25-21-10-8-18-4-2-3-5-19(18)20(21)9-11-22(24)23-14-12-17(13-15-23)16-6-7-16/h2-5,8,10H,6-7,9,11-15H2,1H3
InChIKeyYJEYTCHXMOUYHW-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one

1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one (PubChem CID 121186934) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
PubChem CID121186934
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C22H25NO2/c1-25-21-10-8-18-4-2-3-5-19(18)20(21)9-11-22(24)23-14-12-17(13-15-23)16-6-7-16/h2-5,8,10H,6-7,9,11-15H2,1H3
InChIKeyYJEYTCHXMOUYHW-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.49
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

3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164888
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CID 90616391
1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121164374
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 90586658
3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100789568
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
3-[2-[2-(2-methoxyphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22681770
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one (CID 121186934) is 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one is COc1ccc2ccccc2c1CCC(=O)N1CCC(=C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
The InChIKey is YJEYTCHXMOUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-21-10-8-18-4-2-3-5-19(18)20(21)9-11-22(24)23-14-12-17(13-15-23)16-6-7-16/h2-5,8,10H,6-7,9,11-15H2,1H3.
What are the key properties of 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one?
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 121186934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).