2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide

C18H25N3O4S — CID 17248916

IUPAC2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-10-4-5-11-20)19-14-15-6-8-16(9-7-15)26(24,25)21-12-2-1-3-13-21/h6-9H,1-5,10-14H2,(H,19,22)
InChIKeyUVWODTJIACTXRP-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.10
Rot. Bonds4

About 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide

2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 17248916) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID17248916
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-10-4-5-11-20)19-14-15-6-8-16(9-7-15)26(24,25)21-12-2-1-3-13-21/h6-9H,1-5,10-14H2,(H,19,22)
InChIKeyUVWODTJIACTXRP-UHFFFAOYSA-N
XLogP1.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248850
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide (CID 17248916) is 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCCC1.
What is the InChIKey of 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is UVWODTJIACTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-17(18(23)20-10-4-5-11-20)19-14-15-6-8-16(9-7-15)26(24,25)21-12-2-1-3-13-21/h6-9H,1-5,10-14H2,(H,19,22).
What are the key properties of 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 379.48 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 17248916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).