3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

C19H29FN2O3S — CID 20968435

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H29FN2O3S/c1-16-7-12-22(13-8-16)11-4-10-21-19(23)9-14-26(24,25)15-17-5-2-3-6-18(17)20/h2-3,5-6,16H,4,7-15H2,1H3,(H,21,23)
InChIKeyRUFMMNKBQLFRPJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.37
Rot. Bonds9

About 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 20968435) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID20968435
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H29FN2O3S/c1-16-7-12-22(13-8-16)11-4-10-21-19(23)9-14-26(24,25)15-17-5-2-3-6-18(17)20/h2-3,5-6,16H,4,7-15H2,1H3,(H,21,23)
InChIKeyRUFMMNKBQLFRPJ-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.37
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-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (CID 20968435) is 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is CC1CCN(CCCNC(=O)CCS(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is RUFMMNKBQLFRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-16-7-12-22(13-8-16)11-4-10-21-19(23)9-14-26(24,25)15-17-5-2-3-6-18(17)20/h2-3,5-6,16H,4,7-15H2,1H3,(H,21,23).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20968435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).