1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride

C17H24ClF2N3O2 — CID 119506666

IUPAC1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-2-20-7-8-21-16(23)12-5-9-22(10-6-12)17(24)14-4-3-13(18)11-15(14)19;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,23);1H
InChIKeyAOUNPBIFBZIYEO-UHFFFAOYSA-N
MW375.85 g/mol
LogP1.96
Rot. Bonds6

About 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride

1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119506666) has the molecular formula C17H24ClF2N3O2 and a molecular weight of 375.85 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119506666
Molecular FormulaC17H24ClF2N3O2
Molecular Weight375.85 g/mol
Exact Mass375.15
IUPAC Name1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-2-20-7-8-21-16(23)12-5-9-22(10-6-12)17(24)14-4-3-13(18)11-15(14)19;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,23);1H
InChIKeyAOUNPBIFBZIYEO-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 51.96
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

1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
1-(2,4-difluorobenzoyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 24640246
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119666493
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119506666) is 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride is CCNCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AOUNPBIFBZIYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2.ClH/c1-2-20-7-8-21-16(23)12-5-9-22(10-6-12)17(24)14-4-3-13(18)11-15(14)19;/h3-4,11-12,20H,2,5-10H2,1H3,(H,21,23);1H.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride?
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119506666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).