2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride

C17H27Cl2N3O — CID 120669508

IUPAC2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(C3CC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)15-6-7-15;;/h2-5,14-16H,6-11,18H2,1H3,(H,19,21);2*1H
InChIKeyFMJKXDFJCAPFBO-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669508) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669508
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(C3CC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)15-6-7-15;;/h2-5,14-16H,6-11,18H2,1H3,(H,19,21);2*1H
InChIKeyFMJKXDFJCAPFBO-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669933
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669508) is 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC2CCN(C3CC3)CC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is FMJKXDFJCAPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-12-2-4-13(5-3-12)16(18)17(21)19-14-8-10-20(11-9-14)15-6-7-15;;/h2-5,14-16H,6-11,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).