N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide

C17H25FN2O — CID 81048284

IUPACN-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
SMILESCCN(C(=O)CC(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-3-20(16-8-6-15(18)7-9-16)17(21)11-13(2)14-5-4-10-19-12-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3
InChIKeyOXAKBQONQODDQA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide

N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide (PubChem CID 81048284) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
PubChem CID81048284
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
SMILESCCN(C(=O)CC(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-3-20(16-8-6-15(18)7-9-16)17(21)11-13(2)14-5-4-10-19-12-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3
InChIKeyOXAKBQONQODDQA-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-piperidin-3-ylbutanamide
CID 119767607
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
(3R)-N-[(1R,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]butanamide
CID 100652811
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
1-(2-bromo-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 116594286
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide (CID 81048284) is N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide is CCN(C(=O)CC(C)C1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is OXAKBQONQODDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-20(16-8-6-15(18)7-9-16)17(21)11-13(2)14-5-4-10-19-12-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide?
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81048284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).