N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide

C17H25FN2O — CID 81049753

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C17H25FN2O/c1-13(15-4-3-9-19-11-15)10-17(21)20(2)12-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyBSRRJBGYQGIFCI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide (PubChem CID 81049753) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
PubChem CID81049753
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C17H25FN2O/c1-13(15-4-3-9-19-11-15)10-17(21)20(2)12-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyBSRRJBGYQGIFCI-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119759988
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide (CID 81049753) is N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)Cc1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
The InChIKey is BSRRJBGYQGIFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(15-4-3-9-19-11-15)10-17(21)20(2)12-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).