2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide

C21H30FN3O2 — CID 647937

IUPAC2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30FN3O2/c1-16(26)24-21(17-6-5-7-18(22)14-17)10-12-25(13-11-21)15-20(27)23-19-8-3-2-4-9-19/h5-7,14,19H,2-4,8-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyIHXVAVRMVALHER-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide

2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide (PubChem CID 647937) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide
PubChem CID647937
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30FN3O2/c1-16(26)24-21(17-6-5-7-18(22)14-17)10-12-25(13-11-21)15-20(27)23-19-8-3-2-4-9-19/h5-7,14,19H,2-4,8-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyIHXVAVRMVALHER-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide (CID 647937) is 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide is CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide?
The InChIKey is IHXVAVRMVALHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-16(26)24-21(17-6-5-7-18(22)14-17)10-12-25(13-11-21)15-20(27)23-19-8-3-2-4-9-19/h5-7,14,19H,2-4,8-13,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide?
2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide has a molecular weight of 375.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 647937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).