ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate

C24H30N2O5S — CID 24819944

IUPACethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C24H30N2O5S/c1-2-31-24(28)21-8-5-13-25(17-21)23(27)19-11-14-26(15-12-19)32(29,30)22-10-9-18-6-3-4-7-20(18)16-22/h3-4,6-7,9-10,16,19,21H,2,5,8,11-15,17H2,1H3
InChIKeyUTROIRZHOWFCMZ-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.04
Rot. Bonds5

About ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24819944) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
PubChem CID24819944
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Nameethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C24H30N2O5S/c1-2-31-24(28)21-8-5-13-25(17-21)23(27)19-11-14-26(15-12-19)32(29,30)22-10-9-18-6-3-4-7-20(18)16-22/h3-4,6-7,9-10,16,19,21H,2,5,8,11-15,17H2,1H3
InChIKeyUTROIRZHOWFCMZ-UHFFFAOYSA-N
XLogP3.04
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063083
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-3-carboxylate
CID 3785564
Ethyl 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 3612190
(S)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063081
ethyl 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperidine-3-carboxylate
CID 24978865
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 735899
ethyl (3R)-1-[6-(diethylsulfamoyl)naphthalen-2-yl]sulfonylpiperidine-3-carboxylate
CID 162365393
1-(Naphthalene-2-sulfonyl)piperidine-3-carboxylic acid
CID 3153634
Ethyl 1-{[1-(2-naphthylsulfonyl)-4-piperidinyl]carbonyl}-4-piperidinecarboxylate
CID 2989238
Ethyl 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-3-carboxylate
CID 5000911
N-(Oxan-4-YL)-N-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-YL]propanamide
CID 91906137
N-(Oxan-4-YL)-N-[1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)piperidin-4-YL]cyclopropanecarboxamide
CID 91906221

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate (CID 24819944) is ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1.
What is the InChIKey of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is UTROIRZHOWFCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-2-31-24(28)21-8-5-13-25(17-21)23(27)19-11-14-26(15-12-19)32(29,30)22-10-9-18-6-3-4-7-20(18)16-22/h3-4,6-7,9-10,16,19,21H,2,5,8,11-15,17H2,1H3.
What are the key properties of ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 458.58 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).