3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide

C18H34N2O3S — CID 55743562

IUPAC3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCN(CCCCNC(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C18H34N2O3S/c1-16-8-13-20(14-9-16)12-5-4-11-19-18(21)10-15-24(22,23)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyXYACOKPJQOFKEO-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.36
Rot. Bonds9

About 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide

3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide (PubChem CID 55743562) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide
PubChem CID55743562
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC Name3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCN(CCCCNC(=O)CCS(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C18H34N2O3S/c1-16-8-13-20(14-9-16)12-5-4-11-19-18(21)10-15-24(22,23)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyXYACOKPJQOFKEO-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.36
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 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide (CID 55743562) is 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide is CC1CCN(CCCCNC(=O)CCS(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide?
The InChIKey is XYACOKPJQOFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S/c1-16-8-13-20(14-9-16)12-5-4-11-19-18(21)10-15-24(22,23)17-6-2-3-7-17/h16-17H,2-15H2,1H3,(H,19,21).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide?
3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide has a molecular weight of 358.55 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]propanamide is sourced from PubChem (CID 55743562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).