cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium

C21H34N3O4S+ — CID 8875638

IUPACcyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H33N3O4S/c1-24(2,18-9-5-6-10-18)16-21(25)22-17-11-12-19(28-3)20(15-17)29(26,27)23-13-7-4-8-14-23/h11-12,15,18H,4-10,13-14,16H2,1-3H3/p+1
InChIKeyFCWPAHUGKHONMN-UHFFFAOYSA-O
MW424.59 g/mol
LogP2.83
Rot. Bonds7

About cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium

cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium (PubChem CID 8875638) has the molecular formula C21H34N3O4S+ and a molecular weight of 424.59 g/mol. Its IUPAC name is cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
PubChem CID8875638
Molecular FormulaC21H34N3O4S+
Molecular Weight424.59 g/mol
Exact Mass424.23
IUPAC Namecyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
SMILESCOc1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H33N3O4S/c1-24(2,18-9-5-6-10-18)16-21(25)22-17-11-12-19(28-3)20(15-17)29(26,27)23-13-7-4-8-14-23/h11-12,15,18H,4-10,13-14,16H2,1-3H3/p+1
InChIKeyFCWPAHUGKHONMN-UHFFFAOYSA-O
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583478
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716
2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 18230942

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium?
The IUPAC name of cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium (CID 8875638) is cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium is COc1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium?
The InChIKey is FCWPAHUGKHONMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H33N3O4S/c1-24(2,18-9-5-6-10-18)16-21(25)22-17-11-12-19(28-3)20(15-17)29(26,27)23-13-7-4-8-14-23/h11-12,15,18H,4-10,13-14,16H2,1-3H3/p+1.
What are the key properties of cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium?
cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium has a molecular weight of 424.59 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 8875638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).