2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride

C17H28ClN3O — CID 119925384

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC(C(C)N)C1)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)13-19-11-7-8-15(12-19)14(2)18;/h4-6,9-10,14-15H,3,7-8,11-13,18H2,1-2H3;1H
InChIKeyHTXKGQJFIDZTGI-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride

2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride (PubChem CID 119925384) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
PubChem CID119925384
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC(C(C)N)C1)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)13-19-11-7-8-15(12-19)14(2)18;/h4-6,9-10,14-15H,3,7-8,11-13,18H2,1-2H3;1H
InChIKeyHTXKGQJFIDZTGI-UHFFFAOYSA-N
XLogP2.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
CID 51116457
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride (CID 119925384) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride is CCN(C(=O)CN1CCCC(C(C)N)C1)c1ccccc1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
The InChIKey is HTXKGQJFIDZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-3-20(16-9-5-4-6-10-16)17(21)13-19-11-7-8-15(12-19)14(2)18;/h4-6,9-10,14-15H,3,7-8,11-13,18H2,1-2H3;1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 119925384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).