N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

C18H28N3O4S+ — CID 8902019

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-25-16-8-7-15(19-18(22)14-20-9-5-6-10-20)13-17(16)26(23,24)21-11-3-2-4-12-21/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1
InChIKeyQURAPRSEQBQGGJ-UHFFFAOYSA-O
MW382.51 g/mol
LogP0.49
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 8902019) has the molecular formula C18H28N3O4S+ and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID8902019
Molecular FormulaC18H28N3O4S+
Molecular Weight382.51 g/mol
Exact Mass382.18
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O4S/c1-25-16-8-7-15(19-18(22)14-20-9-5-6-10-20)13-17(16)26(23,24)21-11-3-2-4-12-21/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1
InChIKeyQURAPRSEQBQGGJ-UHFFFAOYSA-O
XLogP0.49
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8018316
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
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-(methylamino)acetamide
CID 119677452
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5024016
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
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (CID 8902019) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is COc1ccc(NC(=O)C[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is QURAPRSEQBQGGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O4S/c1-25-16-8-7-15(19-18(22)14-20-9-5-6-10-20)13-17(16)26(23,24)21-11-3-2-4-12-21/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1.
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 382.51 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 8902019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).