2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride

C15H24ClN3O3S — CID 119276757

IUPAC2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(NC(=O)C(N)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3,(H,17,19);1H
InChIKeyDEJGDWOENPCRSP-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride

2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119276757) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119276757
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(NC(=O)C(N)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3,(H,17,19);1H
InChIKeyDEJGDWOENPCRSP-UHFFFAOYSA-N
XLogP0.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
3-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide
CID 119699916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride (CID 119276757) is 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride is CS(=O)(=O)N1CCC(NC(=O)C(N)Cc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is DEJGDWOENPCRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-22(20,21)18-9-7-13(8-10-18)17-15(19)14(16)11-12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride?
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119276757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).