4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C19H27FN2O — CID 4784804

IUPAC4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c20-17-9-7-16(8-10-17)18(23)21-15-19(11-3-1-4-12-19)22-13-5-2-6-14-22/h7-10H,1-6,11-15H2,(H,21,23)
InChIKeyCNHCYNQQISUDDG-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.74
Rot. Bonds4

About 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 4784804) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID4784804
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c20-17-9-7-16(8-10-17)18(23)21-15-19(11-3-1-4-12-19)22-13-5-2-6-14-22/h7-10H,1-6,11-15H2,(H,21,23)
InChIKeyCNHCYNQQISUDDG-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 4784804) is 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is CNHCYNQQISUDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-17-9-7-16(8-10-17)18(23)21-15-19(11-3-1-4-12-19)22-13-5-2-6-14-22/h7-10H,1-6,11-15H2,(H,21,23).
What are the key properties of 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 318.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 4784804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).