3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

C23H31FN2O2 — CID 42305908

IUPAC3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C23H31FN2O2/c24-21-9-6-20(7-10-21)17-25-22(27)11-8-18-12-14-26(15-13-18)23(28)16-19-4-2-1-3-5-19/h4,6-7,9-10,18H,1-3,5,8,11-17H2,(H,25,27)
InChIKeyLRHWBASRDXRYEI-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.35
Rot. Bonds7

About 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 42305908) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID42305908
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C23H31FN2O2/c24-21-9-6-20(7-10-21)17-25-22(27)11-8-18-12-14-26(15-13-18)23(28)16-19-4-2-1-3-5-19/h4,6-7,9-10,18H,1-3,5,8,11-17H2,(H,25,27)
InChIKeyLRHWBASRDXRYEI-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 42305908) is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is LRHWBASRDXRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c24-21-9-6-20(7-10-21)17-25-22(27)11-8-18-12-14-26(15-13-18)23(28)16-19-4-2-1-3-5-19/h4,6-7,9-10,18H,1-3,5,8,11-17H2,(H,25,27).
What are the key properties of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 386.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 42305908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).