N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide

C19H27N3O4S — CID 2334774

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O4S/c23-18-9-5-11-21(18)12-6-10-20-19(24)16-7-4-8-17(15-16)27(25,26)22-13-2-1-3-14-22/h4,7-8,15H,1-3,5-6,9-14H2,(H,20,24)
InChIKeyIWCAZBZBJUTEFB-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2334774) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2334774
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O4S/c23-18-9-5-11-21(18)12-6-10-20-19(24)16-7-4-8-17(15-16)27(25,26)22-13-2-1-3-14-22/h4,7-8,15H,1-3,5-6,9-14H2,(H,20,24)
InChIKeyIWCAZBZBJUTEFB-UHFFFAOYSA-N
XLogP1.60
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide (CID 2334774) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IWCAZBZBJUTEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-18-9-5-11-21(18)12-6-10-20-19(24)16-7-4-8-17(15-16)27(25,26)22-13-2-1-3-14-22/h4,7-8,15H,1-3,5-6,9-14H2,(H,20,24).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2334774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).