3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide

C16H23FN2O — CID 119461609

IUPAC3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(14-5-2-6-15(17)9-14)8-16(20)19-11-13-4-3-7-18-10-13/h2,5-6,9,12-13,18H,3-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyHDBWMSCSFOEKRJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.44
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide

3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119461609) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119461609
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12(14-5-2-6-15(17)9-14)8-16(20)19-11-13-4-3-7-18-10-13/h2,5-6,9,12-13,18H,3-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyHDBWMSCSFOEKRJ-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
3-(2-fluorophenyl)sulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 119462366
N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide (CID 119461609) is 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide is CC(CC(=O)NCC1CCCNC1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is HDBWMSCSFOEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(14-5-2-6-15(17)9-14)8-16(20)19-11-13-4-3-7-18-10-13/h2,5-6,9,12-13,18H,3-4,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 278.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119461609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).