N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride

C18H28ClN3O2 — CID 119644723

IUPACN-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-19-13-16-8-10-21(11-9-16)18(23)14-20-17(22)12-15-6-4-3-5-7-15;/h3-7,16,19H,2,8-14H2,1H3,(H,20,22);1H
InChIKeyJARHYHOCIUBONC-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride

N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119644723) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119644723
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCCNCC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-19-13-16-8-10-21(11-9-16)18(23)14-20-17(22)12-15-6-4-3-5-7-15;/h3-7,16,19H,2,8-14H2,1H3,(H,20,22);1H
InChIKeyJARHYHOCIUBONC-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 119644211
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
3-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119645286
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119644723) is N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride is CCNCC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1.Cl.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is JARHYHOCIUBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-19-13-16-8-10-21(11-9-16)18(23)14-20-17(22)12-15-6-4-3-5-7-15;/h3-7,16,19H,2,8-14H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119644723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).