N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119304521

IUPACN-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-20(13-14-7-4-3-5-8-14)16(21)12-19-17(22)15-9-6-10-18-11-15;/h3-5,7-8,15,18H,2,6,9-13H2,1H3,(H,19,22);1H
InChIKeyIBXIBEAOTFWGQX-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119304521) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119304521
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-20(13-14-7-4-3-5-8-14)16(21)12-19-17(22)15-9-6-10-18-11-15;/h3-5,7-8,15,18H,2,6,9-13H2,1H3,(H,19,22);1H
InChIKeyIBXIBEAOTFWGQX-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
(3R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123203
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825
(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (CID 119304521) is N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is CCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IBXIBEAOTFWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-2-20(13-14-7-4-3-5-8-14)16(21)12-19-17(22)15-9-6-10-18-11-15;/h3-5,7-8,15,18H,2,6,9-13H2,1H3,(H,19,22);1H.
What are the key properties of N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119304521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).