2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C20H29N3O4S — CID 46294824

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N3O4S/c24-19(21-11-5-13-22-12-4-8-20(22)25)16-17-9-14-23(15-10-17)28(26,27)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,21,24)
InChIKeyLCDJUFYNQCDPDL-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.61
Rot. Bonds8

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 46294824) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID46294824
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N3O4S/c24-19(21-11-5-13-22-12-4-8-20(22)25)16-17-9-14-23(15-10-17)28(26,27)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,21,24)
InChIKeyLCDJUFYNQCDPDL-UHFFFAOYSA-N
XLogP1.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 50768014
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide
CID 46294919
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 124880739
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 46294835
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 46294824) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCCN1CCCC1=O.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is LCDJUFYNQCDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-19(21-11-5-13-22-12-4-8-20(22)25)16-17-9-14-23(15-10-17)28(26,27)18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,21,24).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 46294824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).