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

C17H26ClN3O2 — CID 119593240

IUPACN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(18)15-8-5-9-20(12-15)17(22)11-19-16(21)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,18H2,1H3,(H,19,21);1H
InChIKeyGMYLYJWFKLMZTD-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.35
Rot. Bonds5

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

N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119593240) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119593240
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCC(N)C1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(18)15-8-5-9-20(12-15)17(22)11-19-16(21)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,18H2,1H3,(H,19,21);1H
InChIKeyGMYLYJWFKLMZTD-UHFFFAOYSA-N
XLogP1.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one;hydrochloride
CID 119595280
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119595026
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 119595767
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357592
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 95357594
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 91645395
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119593816

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119593240) is N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride is CC(N)C1CCCN(C(=O)CNC(=O)Cc2ccccc2)C1.Cl.
What is the InChIKey of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is GMYLYJWFKLMZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-13(18)15-8-5-9-20(12-15)17(22)11-19-16(21)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,18H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119593240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).