N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride

C17H26ClN3O2 — CID 120885063

IUPACN-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CN1CCCCC1=O
InChIInChI=1S/C17H25N3O2.ClH/c18-10-13-19(12-9-15-6-2-1-3-7-15)17(22)14-20-11-5-4-8-16(20)21;/h1-3,6-7H,4-5,8-14,18H2;1H
InChIKeyDBEMJSQCWOIXIV-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.45
Rot. Bonds7

About N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 120885063) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID120885063
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CN1CCCCC1=O
InChIInChI=1S/C17H25N3O2.ClH/c18-10-13-19(12-9-15-6-2-1-3-7-15)17(22)14-20-11-5-4-8-16(20)21;/h1-3,6-7H,4-5,8-14,18H2;1H
InChIKeyDBEMJSQCWOIXIV-UHFFFAOYSA-N
XLogP1.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 120885504
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217
2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 74251298
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886483
N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
CID 167771862
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 120886231
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride (CID 120885063) is N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CN1CCCCC1=O.
What is the InChIKey of N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is DBEMJSQCWOIXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c18-10-13-19(12-9-15-6-2-1-3-7-15)17(22)14-20-11-5-4-8-16(20)21;/h1-3,6-7H,4-5,8-14,18H2;1H.
What are the key properties of N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120885063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).