2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

C17H25N3O3S — CID 120669080

IUPAC2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)24(22,23)15-6-7-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyHXQJCWLMNFJVDV-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (PubChem CID 120669080) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
PubChem CID120669080
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)24(22,23)15-6-7-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyHXQJCWLMNFJVDV-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide (CID 120669080) is 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1.
What is the InChIKey of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is HXQJCWLMNFJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)24(22,23)15-6-7-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 1.07, 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-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).