N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide

C22H27FN2O — CID 42858072

IUPACN-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
SMILESCC(C)CN1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-17(2)16-24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyLGNAHMNSBOAVFR-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.59
Rot. Bonds5

About N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide

N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide (PubChem CID 42858072) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
PubChem CID42858072
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
SMILESCC(C)CN1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-17(2)16-24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeyLGNAHMNSBOAVFR-UHFFFAOYSA-N
XLogP4.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide (CID 42858072) is N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide is CC(C)CN1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide?
The InChIKey is LGNAHMNSBOAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-17(2)16-24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide?
N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide has a molecular weight of 354.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 42858072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).