1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide

C18H24F2N2O4 — CID 78862780

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCCN(CCO)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C18H24F2N2O4/c1-2-21(10-11-23)16(24)13-6-5-9-22(12-13)17(25)14-7-3-4-8-15(14)26-18(19)20/h3-4,7-8,13,18,23H,2,5-6,9-12H2,1H3
InChIKeyUVQXTCGVJPPBAP-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.98
Rot. Bonds7

About 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (PubChem CID 78862780) has the molecular formula C18H24F2N2O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
PubChem CID78862780
Molecular FormulaC18H24F2N2O4
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCCN(CCO)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C18H24F2N2O4/c1-2-21(10-11-23)16(24)13-6-5-9-22(12-13)17(25)14-7-3-4-8-15(14)26-18(19)20/h3-4,7-8,13,18,23H,2,5-6,9-12H2,1H3
InChIKeyUVQXTCGVJPPBAP-UHFFFAOYSA-N
XLogP1.98
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119233031
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (CID 78862780) is 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide is CCN(CCO)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The InChIKey is UVQXTCGVJPPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4/c1-2-21(10-11-23)16(24)13-6-5-9-22(12-13)17(25)14-7-3-4-8-15(14)26-18(19)20/h3-4,7-8,13,18,23H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 78862780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).