3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C15H23N3O3S — CID 120608479

IUPAC3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-10-8-13(9-11-18)17-15(19)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3,(H,17,19)
InChIKeyBPOCBTLUAVTYKX-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.74
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 120608479) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID120608479
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-10-8-13(9-11-18)17-15(19)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3,(H,17,19)
InChIKeyBPOCBTLUAVTYKX-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 120608479) is 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is CS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2N)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is BPOCBTLUAVTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18-10-8-13(9-11-18)17-15(19)7-6-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3,(H,17,19).
What are the key properties of 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120608479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).