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

C20H23NO3 — CID 975943

IUPACethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H23NO3/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,16H,2,10-14H2,1H3
InChIKeyZXJLWJFAROGWLL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.18
Rot. Bonds4

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

ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate (PubChem CID 975943) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate
PubChem CID975943
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H23NO3/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,16H,2,10-14H2,1H3
InChIKeyZXJLWJFAROGWLL-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate (CID 975943) is ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate?
The InChIKey is ZXJLWJFAROGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-24-20(23)16-10-12-21(13-11-16)19(22)14-17-8-5-7-15-6-3-4-9-18(15)17/h3-9,16H,2,10-14H2,1H3.
What are the key properties of ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate?
ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-naphthalen-1-ylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).