ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate

C24H25NO4S — CID 19498976

IUPACethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1
InChIInChI=1S/C24H25NO4S/c1-2-28-24(27)19-9-11-25(12-10-19)23(26)22-13-17(16-30-22)15-29-21-8-7-18-5-3-4-6-20(18)14-21/h3-8,13-14,16,19H,2,9-12,15H2,1H3
InChIKeyBMAMGYYYZMUROE-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.90
Rot. Bonds6

About ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate

ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate (PubChem CID 19498976) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
PubChem CID19498976
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Nameethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1
InChIInChI=1S/C24H25NO4S/c1-2-28-24(27)19-9-11-25(12-10-19)23(26)22-13-17(16-30-22)15-29-21-8-7-18-5-3-4-6-20(18)14-21/h3-8,13-14,16,19H,2,9-12,15H2,1H3
InChIKeyBMAMGYYYZMUROE-UHFFFAOYSA-N
XLogP4.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 19498934
ethyl 1-[4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carbonyl]piperidine-3-carboxylate
CID 19483481
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(naphthalen-2-yloxymethyl)thiophen-2-yl]methanone
CID 19498942
ethyl 4-[4-[(3-methylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate
CID 19491133
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
(4-benzylpiperidin-1-yl)-[4-[(4-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanone
CID 19484538
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491068

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate (CID 19498976) is ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(COc3ccc4ccccc4c3)cs2)CC1.
What is the InChIKey of ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is BMAMGYYYZMUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-28-24(27)19-9-11-25(12-10-19)23(26)22-13-17(16-30-22)15-29-21-8-7-18-5-3-4-6-20(18)14-21/h3-8,13-14,16,19H,2,9-12,15H2,1H3.
What are the key properties of ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 423.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 19498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).