N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide

C19H24F2N2O2 — CID 55739387

IUPACN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C19H24F2N2O2/c1-2-23(15-4-5-15)18(24)12-22-9-7-13(8-10-22)19(25)16-11-14(20)3-6-17(16)21/h3,6,11,13,15H,2,4-5,7-10,12H2,1H3
InChIKeyCXPJBHHEDYORGY-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.87
Rot. Bonds6

About N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide

N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide (PubChem CID 55739387) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
PubChem CID55739387
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC NameN-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1)C1CC1
InChIInChI=1S/C19H24F2N2O2/c1-2-23(15-4-5-15)18(24)12-22-9-7-13(8-10-22)19(25)16-11-14(20)3-6-17(16)21/h3,6,11,13,15H,2,4-5,7-10,12H2,1H3
InChIKeyCXPJBHHEDYORGY-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55842103
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56546226
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 47082849
N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877418
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
CID 119930632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide (CID 55739387) is N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide is CCN(C(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide?
The InChIKey is CXPJBHHEDYORGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-2-23(15-4-5-15)18(24)12-22-9-7-13(8-10-22)19(25)16-11-14(20)3-6-17(16)21/h3,6,11,13,15H,2,4-5,7-10,12H2,1H3.
What are the key properties of N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide?
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide has a molecular weight of 350.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55739387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).