ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

C19H21NO3 — CID 3502152

IUPACethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H21NO3/c1-2-23-19(22)15-9-6-12-20(13-15)18(21)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3
InChIKeyNRYRMCVROZSBMY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.26
Rot. Bonds3

About ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (PubChem CID 3502152) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
PubChem CID3502152
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H21NO3/c1-2-23-19(22)15-9-6-12-20(13-15)18(21)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3
InChIKeyNRYRMCVROZSBMY-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (CID 3502152) is ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is NRYRMCVROZSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-23-19(22)15-9-6-12-20(13-15)18(21)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3.
What are the key properties of ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3502152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).