N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide

C18H25FN2O2 — CID 110822805

IUPACN-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)17(23)20-14-8-10-21(11-9-14)16(22)12-13-6-4-5-7-15(13)19/h4-7,14H,8-12H2,1-3H3,(H,20,23)
InChIKeyGDROENFKDPOYEV-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds3

About N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 110822805) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID110822805
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)17(23)20-14-8-10-21(11-9-14)16(22)12-13-6-4-5-7-15(13)19/h4-7,14H,8-12H2,1-3H3,(H,20,23)
InChIKeyGDROENFKDPOYEV-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108962409
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 110822805) is N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is GDROENFKDPOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(2,3)17(23)20-14-8-10-21(11-9-14)16(22)12-13-6-4-5-7-15(13)19/h4-7,14H,8-12H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110822805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).