ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate

C19H23NO5S — CID 2955240

IUPACethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C19H23NO5S/c1-3-25-19(21)14-7-6-12-20(13-14)26(22,23)18-11-10-17(24-2)15-8-4-5-9-16(15)18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyRWSKQQUCTXWYDW-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.81
Rot. Bonds5

About ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate

ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate (PubChem CID 2955240) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate
PubChem CID2955240
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C19H23NO5S/c1-3-25-19(21)14-7-6-12-20(13-14)26(22,23)18-11-10-17(24-2)15-8-4-5-9-16(15)18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyRWSKQQUCTXWYDW-UHFFFAOYSA-N
XLogP2.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
5-[(4-Methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
CID 134158374
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
1-(4-Ethoxynaphthalen-1-yl)sulfonylpiperidine-4-carboxamide
CID 1261030
1-[(4-Methoxy-1-naphthyl)sulfonyl]-4-piperidinecarboxamide
CID 849962
1-(4-Ethoxynaphthalen-1-yl)sulfonylpiperidine
CID 772123
Ethyl 4-[(4-methoxy-1-naphthyl)sulfonyl]-1-piperazinecarboxylate
CID 1085507
4-(4-Ethoxynaphthalen-1-yl)sulfonylmorpholine
CID 818895
1-(6-Butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxylic acid
CID 53329431
1-((4-Methoxynaphthalen-1-yl)sulfonyl)azepane
CID 846974
1-[(4-Ethoxynaphthyl)sulfonyl]-3-methylpiperidine
CID 2921595

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate (CID 2955240) is ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1.
What is the InChIKey of ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate?
The InChIKey is RWSKQQUCTXWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-25-19(21)14-7-6-12-20(13-14)26(22,23)18-11-10-17(24-2)15-8-4-5-9-16(15)18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate?
ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxynaphthalen-1-yl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 2955240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).