N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide

C18H24F2N2O2 — CID 110821662

IUPACN-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-18(2,3)11-16(23)21-13-6-8-22(9-7-13)17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyDBADHFOCDSWQLA-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 110821662) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID110821662
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-18(2,3)11-16(23)21-13-6-8-22(9-7-13)17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,23)
InChIKeyDBADHFOCDSWQLA-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110810845
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 110821662) is N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is DBADHFOCDSWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-18(2,3)11-16(23)21-13-6-8-22(9-7-13)17(24)12-4-5-14(19)15(20)10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 338.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110821662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).