ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate

C19H21NO3 — CID 26710230

IUPACethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H21NO3/c1-2-23-19(22)17-8-5-11-20(13-17)18(21)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyUFQJTFQZAMTDCX-KRWDZBQOSA-N
MW311.38 g/mol
LogP3.26
Rot. Bonds3

About ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 26710230) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
PubChem CID26710230
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H21NO3/c1-2-23-19(22)17-8-5-11-20(13-17)18(21)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyUFQJTFQZAMTDCX-KRWDZBQOSA-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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Related Compounds

ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
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ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate (CID 26710230) is ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is UFQJTFQZAMTDCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-23-19(22)17-8-5-11-20(13-17)18(21)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3/t17-/m0/s1.
What are the key properties of ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(naphthalene-2-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 (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 26710230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).