N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide

C19H25F2N3O3 — CID 55738197

IUPACN-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H25F2N3O3/c1-19(2,3)23-18(27)22-16(25)11-24-8-6-12(7-9-24)17(26)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,23,25,27)
InChIKeyREGPWEYAVJHFPA-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.48
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide (PubChem CID 55738197) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
PubChem CID55738197
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H25F2N3O3/c1-19(2,3)23-18(27)22-16(25)11-24-8-6-12(7-9-24)17(26)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,23,25,27)
InChIKeyREGPWEYAVJHFPA-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55842103
N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046328
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 55738263
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
(2,5-difluorophenyl)-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]methanone
CID 55860707
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide (CID 55738197) is N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The InChIKey is REGPWEYAVJHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-19(2,3)23-18(27)22-16(25)11-24-8-6-12(7-9-24)17(26)14-10-13(20)4-5-15(14)21/h4-5,10,12H,6-9,11H2,1-3H3,(H2,22,23,25,27).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 55738197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).