ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate

C20H23NO4 — CID 773942

IUPACethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C20H23NO4/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-25-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,2,10-14H2,1H3
InChIKeyCDCZXKHQADIYLR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds5

About ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate

ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate (PubChem CID 773942) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
PubChem CID773942
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C20H23NO4/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-25-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,2,10-14H2,1H3
InChIKeyCDCZXKHQADIYLR-UHFFFAOYSA-N
XLogP3.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 27189
Napropamide-M
CID 13013865
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2-[2-(3-Methylphenoxy)propanoyl]-1,2,3,4-tetrahydroisoquinoline
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ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
1-[2-(Naphthalen-1-yloxy)-acetyl]-piperidine-4-carboxylic acid amide
CID 773946
2-(2-Naphthalenyloxy)-1-(1-pyrrolidinyl)ethanone
CID 875060
4-Methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one
CID 975698
2-Naphthyl 2-oxo-2-[4-(phenylacetyl)-1-piperazinyl]ethyl ether
CID 1072081
1-(4-sec-Butyl-piperazin-1-yl)-2-(naphthalen-2-yloxy)-ethanone
CID 2881179

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate (CID 773942) is ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2cccc3ccccc23)CC1.
What is the InChIKey of ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate?
The InChIKey is CDCZXKHQADIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-25-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,2,10-14H2,1H3.
What are the key properties of ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate?
ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 773942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).