2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide

C23H33FN2O — CID 25384161

IUPAC2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C23H33FN2O/c1-25(23(27)17-20-5-3-2-4-6-20)18-21-12-15-26(16-13-21)14-11-19-7-9-22(24)10-8-19/h5,7-10,21H,2-4,6,11-18H2,1H3
InChIKeyDLRXCPZKKIXNJO-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.43
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide

2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 25384161) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID25384161
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C23H33FN2O/c1-25(23(27)17-20-5-3-2-4-6-20)18-21-12-15-26(16-13-21)14-11-19-7-9-22(24)10-8-19/h5,7-10,21H,2-4,6,11-18H2,1H3
InChIKeyDLRXCPZKKIXNJO-UHFFFAOYSA-N
XLogP4.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
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 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (CID 25384161) is 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is DLRXCPZKKIXNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-25(23(27)17-20-5-3-2-4-6-20)18-21-12-15-26(16-13-21)14-11-19-7-9-22(24)10-8-19/h5,7-10,21H,2-4,6,11-18H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 372.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 25384161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).