N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide

C21H29FN2O2 — CID 162664374

IUPACN-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H29FN2O2/c22-17-8-6-16(7-9-17)20(25)10-11-21(26)23-18-12-14-24(15-13-18)19-4-2-1-3-5-19/h6-9,18-19H,1-5,10-15H2,(H,23,26)
InChIKeyBRXFYOAHMPGDMV-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.70
Rot. Bonds6

About N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 162664374) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID162664374
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H29FN2O2/c22-17-8-6-16(7-9-17)20(25)10-11-21(26)23-18-12-14-24(15-13-18)19-4-2-1-3-5-19/h6-9,18-19H,1-5,10-15H2,(H,23,26)
InChIKeyBRXFYOAHMPGDMV-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 162664374) is N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is BRXFYOAHMPGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-17-8-6-16(7-9-17)20(25)10-11-21(26)23-18-12-14-24(15-13-18)19-4-2-1-3-5-19/h6-9,18-19H,1-5,10-15H2,(H,23,26).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 360.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 162664374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).