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

C18H26FN3O2 — CID 1444042

IUPAC2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)20-17(24)12-22-9-7-18(8-10-22,21-14(3)23)15-5-4-6-16(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCZUYQIFSELCMQU-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.78
Rot. Bonds5

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

2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 1444042) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID1444042
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)20-17(24)12-22-9-7-18(8-10-22,21-14(3)23)15-5-4-6-16(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCZUYQIFSELCMQU-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.78
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-propan-2-ylacetamide?
The IUPAC name of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 1444042) is 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is CZUYQIFSELCMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)20-17(24)12-22-9-7-18(8-10-22,21-14(3)23)15-5-4-6-16(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 335.42 g/mol, XLogP of 1.78, 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-propan-2-ylacetamide is sourced from PubChem (CID 1444042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).