N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

C18H24F2N2O2 — CID 113008986

IUPACN-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-3-12(4-2)18(24)22-9-7-13(8-10-22)17(23)21-14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJQFVERXTPIFUKP-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.58
Rot. Bonds5

About N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (PubChem CID 113008986) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
PubChem CID113008986
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-3-12(4-2)18(24)22-9-7-13(8-10-22)17(23)21-14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJQFVERXTPIFUKP-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008005
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (CID 113008986) is N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The InChIKey is JQFVERXTPIFUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-3-12(4-2)18(24)22-9-7-13(8-10-22)17(23)21-14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).