N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide

C16H20BrFN2O — CID 46444939

IUPACN-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2ccc(Br)cc2F)CC1)C1CC1
InChIInChI=1S/C16H20BrFN2O/c17-13-4-3-12(15(18)9-13)10-20-7-5-14(6-8-20)19-16(21)11-1-2-11/h3-4,9,11,14H,1-2,5-8,10H2,(H,19,21)
InChIKeyZBXLPWJVUYNQSQ-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.08
Rot. Bonds4

About N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46444939) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46444939
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC NameN-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2ccc(Br)cc2F)CC1)C1CC1
InChIInChI=1S/C16H20BrFN2O/c17-13-4-3-12(15(18)9-13)10-20-7-5-14(6-8-20)19-16(21)11-1-2-11/h3-4,9,11,14H,1-2,5-8,10H2,(H,19,21)
InChIKeyZBXLPWJVUYNQSQ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46444939) is N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(Cc2ccc(Br)cc2F)CC1)C1CC1.
What is the InChIKey of N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is ZBXLPWJVUYNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c17-13-4-3-12(15(18)9-13)10-20-7-5-14(6-8-20)19-16(21)11-1-2-11/h3-4,9,11,14H,1-2,5-8,10H2,(H,19,21).
What are the key properties of N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 355.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46444939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).