2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride

C17H28ClN3O2 — CID 120728365

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-2-22-16-8-4-3-7-15(16)19-17(21)13-20-11-5-6-14(12-20)9-10-18;/h3-4,7-8,14H,2,5-6,9-13,18H2,1H3,(H,19,21);1H
InChIKeyTXRLOFPAAKNLTQ-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.51
Rot. Bonds7

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride (PubChem CID 120728365) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
PubChem CID120728365
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-2-22-16-8-4-3-7-15(16)19-17(21)13-20-11-5-6-14(12-20)9-10-18;/h3-4,7-8,14H,2,5-6,9-13,18H2,1H3,(H,19,21);1H
InChIKeyTXRLOFPAAKNLTQ-UHFFFAOYSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride (CID 120728365) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride is CCOc1ccccc1NC(=O)CN1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride?
The InChIKey is TXRLOFPAAKNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-2-22-16-8-4-3-7-15(16)19-17(21)13-20-11-5-6-14(12-20)9-10-18;/h3-4,7-8,14H,2,5-6,9-13,18H2,1H3,(H,19,21);1H.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120728365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).