1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

C17H22F2N2O3 — CID 78855442

IUPAC1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCN(CCO)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c1-2-20(9-10-22)16(23)12-5-7-21(8-6-12)17(24)14-4-3-13(18)11-15(14)19/h3-4,11-12,22H,2,5-10H2,1H3
InChIKeyPVDPMNBSNPECCY-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.66
Rot. Bonds5

About 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 78855442) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID78855442
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESCCN(CCO)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c1-2-20(9-10-22)16(23)12-5-7-21(8-6-12)17(24)14-4-3-13(18)11-15(14)19/h3-4,11-12,22H,2,5-10H2,1H3
InChIKeyPVDPMNBSNPECCY-UHFFFAOYSA-N
XLogP1.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531234
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 31839249
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 78855442) is 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is CCN(CCO)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is PVDPMNBSNPECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-2-20(9-10-22)16(23)12-5-7-21(8-6-12)17(24)14-4-3-13(18)11-15(14)19/h3-4,11-12,22H,2,5-10H2,1H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78855442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).