N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide

C20H30N2O4S — CID 166614308

IUPACN-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-26-20(16-21-19(23)17-6-5-7-17)10-12-22(13-11-20)14-15-27(24,25)18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3,(H,21,23)
InChIKeyKBRRBVXKPOPTDL-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.86
Rot. Bonds8

About N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide

N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 166614308) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID166614308
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCOC1(CNC(=O)C2CCC2)CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4S/c1-26-20(16-21-19(23)17-6-5-7-17)10-12-22(13-11-20)14-15-27(24,25)18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3,(H,21,23)
InChIKeyKBRRBVXKPOPTDL-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclopropanecarboxamide
CID 91631258
(3S)-1-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 125445600
2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
CID 143882421
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
[(2R)-2-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]azepan-1-yl]-cyclopropylmethanone
CID 95327845
1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 45370708
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
[(4aS,8aS)-7-[2-(benzenesulfonyl)ethyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol
CID 135087760

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide (CID 166614308) is N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide is COC1(CNC(=O)C2CCC2)CCN(CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is KBRRBVXKPOPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-26-20(16-21-19(23)17-6-5-7-17)10-12-22(13-11-20)14-15-27(24,25)18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3,(H,21,23).
What are the key properties of N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide?
N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 394.54 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(benzenesulfonyl)ethyl]-4-methoxypiperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 166614308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).