2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride

C18H31Cl2N3O — CID 119502046

IUPAC2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
SMILESCNCCNC(=O)C(C)N1CCC(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15(18(22)20-11-10-19-2)21-12-8-17(9-13-21)14-16-6-4-3-5-7-16;;/h3-7,15,17,19H,8-14H2,1-2H3,(H,20,22);2*1H
InChIKeyBEKGNAPORXGXJL-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.51
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride

2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride (PubChem CID 119502046) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
PubChem CID119502046
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
SMILESCNCCNC(=O)C(C)N1CCC(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-15(18(22)20-11-10-19-2)21-12-8-17(9-13-21)14-16-6-4-3-5-7-16;;/h3-7,15,17,19H,8-14H2,1-2H3,(H,20,22);2*1H
InChIKeyBEKGNAPORXGXJL-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride (CID 119502046) is 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride is CNCCNC(=O)C(C)N1CCC(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride?
The InChIKey is BEKGNAPORXGXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-15(18(22)20-11-10-19-2)21-12-8-17(9-13-21)14-16-6-4-3-5-7-16;;/h3-7,15,17,19H,8-14H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride?
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119502046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).