2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 119920937

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-5-4-6-13(2)17(12)19-16(21)11-20-9-7-15(8-10-20)14(3)18;/h4-6,14-15H,7-11,18H2,1-3H3,(H,19,21);1H
InChIKeyPRMMRZFKWPMXOZ-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride (PubChem CID 119920937) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
PubChem CID119920937
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-5-4-6-13(2)17(12)19-16(21)11-20-9-7-15(8-10-20)14(3)18;/h4-6,14-15H,7-11,18H2,1-3H3,(H,19,21);1H
InChIKeyPRMMRZFKWPMXOZ-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119920938
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride (CID 119920937) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride is Cc1cccc(C)c1NC(=O)CN1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is PRMMRZFKWPMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-12-5-4-6-13(2)17(12)19-16(21)11-20-9-7-15(8-10-20)14(3)18;/h4-6,14-15H,7-11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119920937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).