2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride

C17H27Cl2N3O — CID 119920519

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CN1CCC(C(C)N)CC1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H26ClN3O.ClH/c1-12(19)14-7-9-21(10-8-14)11-17(22)20-13(2)15-5-3-4-6-16(15)18;/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,22);1H
InChIKeyGMIOWUAPVRDEMJ-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride

2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119920519) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
PubChem CID119920519
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CN1CCC(C(C)N)CC1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H26ClN3O.ClH/c1-12(19)14-7-9-21(10-8-14)11-17(22)20-13(2)15-5-3-4-6-16(15)18;/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,22);1H
InChIKeyGMIOWUAPVRDEMJ-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
N-[1-(2-chlorophenyl)ethyl]-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]acetamide
CID 60537959
N-[1-(2-chlorophenyl)ethyl]-2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetamide
CID 60503652
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 60512121
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 120771608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride (CID 119920519) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride is CC(NC(=O)CN1CCC(C(C)N)CC1)c1ccccc1Cl.Cl.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is GMIOWUAPVRDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O.ClH/c1-12(19)14-7-9-21(10-8-14)11-17(22)20-13(2)15-5-3-4-6-16(15)18;/h3-6,12-14H,7-11,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 360.33 g/mol, XLogP of 3.00, 5 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-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119920519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).