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

C15H24ClN3O3S — CID 120587710

IUPAC2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-15(16,12-6-4-3-5-7-12)14(19)17-13-8-10-18(11-9-13)22(2,20)21;/h3-7,13H,8-11,16H2,1-2H3,(H,17,19);1H
InChIKeyCFBKEVLUDAPXGE-UHFFFAOYSA-N
MW361.90 g/mol
LogP0.82
Rot. Bonds4

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

2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride (PubChem CID 120587710) 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)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
PubChem CID120587710
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-15(16,12-6-4-3-5-7-12)14(19)17-13-8-10-18(11-9-13)22(2,20)21;/h3-7,13H,8-11,16H2,1-2H3,(H,17,19);1H
InChIKeyCFBKEVLUDAPXGE-UHFFFAOYSA-N
XLogP0.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
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2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
CID 120590622
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2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
cis-(1S,3R)-3-[(2-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
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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)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride (CID 120587710) is 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride?
The InChIKey is CFBKEVLUDAPXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-15(16,12-6-4-3-5-7-12)14(19)17-13-8-10-18(11-9-13)22(2,20)21;/h3-7,13H,8-11,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 0.82, 4 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)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120587710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).