N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide

C17H23FN2O — CID 23723581

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2F)C1)C1CCC1
InChIInChI=1S/C17H23FN2O/c18-16-9-2-1-5-14(16)11-20-10-4-8-15(12-20)19-17(21)13-6-3-7-13/h1-2,5,9,13,15H,3-4,6-8,10-12H2,(H,19,21)
InChIKeyYSRAQCIWDRXVCP-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.71
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 23723581) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
PubChem CID23723581
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2F)C1)C1CCC1
InChIInChI=1S/C17H23FN2O/c18-16-9-2-1-5-14(16)11-20-10-4-8-15(12-20)19-17(21)13-6-3-7-13/h1-2,5,9,13,15H,3-4,6-8,10-12H2,(H,19,21)
InChIKeyYSRAQCIWDRXVCP-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide (CID 23723581) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide is O=C(NC1CCCN(Cc2ccccc2F)C1)C1CCC1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is YSRAQCIWDRXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-9-2-1-5-14(16)11-20-10-4-8-15(12-20)19-17(21)13-6-3-7-13/h1-2,5,9,13,15H,3-4,6-8,10-12H2,(H,19,21).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 23723581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).