3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide

C18H27FN2O3S — CID 3238643

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1
InChIInChI=1S/C18H27FN2O3S/c19-17-8-3-2-7-16(17)15-25(23,24)14-9-18(22)20-10-6-13-21-11-4-1-5-12-21/h2-3,7-8H,1,4-6,9-15H2,(H,20,22)
InChIKeyHBWPJQXYYGDZSX-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.12
Rot. Bonds9

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 3238643) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID3238643
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1
InChIInChI=1S/C18H27FN2O3S/c19-17-8-3-2-7-16(17)15-25(23,24)14-9-18(22)20-10-6-13-21-11-4-1-5-12-21/h2-3,7-8H,1,4-6,9-15H2,(H,20,22)
InChIKeyHBWPJQXYYGDZSX-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.12
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-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
1-(3-Benzylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 6463287
1-[4-[2-[Bis(4-fluorophenyl)methylsulfanyl]ethylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142590728
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
3-[(4-methylbenzyl)sulfonyl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 3239891
2-(benzylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3269509
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 891225
3-[(4-methylbenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4119951

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide (CID 3238643) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is HBWPJQXYYGDZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c19-17-8-3-2-7-16(17)15-25(23,24)14-9-18(22)20-10-6-13-21-11-4-1-5-12-21/h2-3,7-8H,1,4-6,9-15H2,(H,20,22).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 370.49 g/mol, XLogP of 2.12, 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-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 3238643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).