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

C17H25N3O3S — CID 120611650

IUPAC3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H25N3O3S/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)24(22,23)15-6-7-15/h1-4,14-15H,5-12,18H2,(H,19,21)
InChIKeyGJTADHFEGZYYJH-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.27
Rot. Bonds6

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

3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide (PubChem CID 120611650) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
PubChem CID120611650
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H25N3O3S/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)24(22,23)15-6-7-15/h1-4,14-15H,5-12,18H2,(H,19,21)
InChIKeyGJTADHFEGZYYJH-UHFFFAOYSA-N
XLogP1.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.27
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-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
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-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
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]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide (CID 120611650) is 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide is Nc1ccccc1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is GJTADHFEGZYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c18-16-4-2-1-3-13(16)5-8-17(21)19-14-9-11-20(12-10-14)24(22,23)15-6-7-15/h1-4,14-15H,5-12,18H2,(H,19,21).
What are the key properties of 3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide?
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 351.47 g/mol, XLogP of 1.27, 6 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-cyclopropylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120611650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).