2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide

C15H21FN2O — CID 47053789

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(15(17)19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10-12H,5-9H2,1H3,(H2,17,19)
InChIKeyHJKJBEXZZHOFIB-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide (PubChem CID 47053789) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
PubChem CID47053789
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(15(17)19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10-12H,5-9H2,1H3,(H2,17,19)
InChIKeyHJKJBEXZZHOFIB-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide (CID 47053789) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide?
The InChIKey is HJKJBEXZZHOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(15(17)19)18-7-5-12(6-8-18)9-13-3-2-4-14(16)10-13/h2-4,10-12H,5-9H2,1H3,(H2,17,19).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide has a molecular weight of 264.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 47053789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).