2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C18H26FN3O2 — CID 71783283

IUPAC2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-16-5-1-14(2-6-16)11-20-18(24)13-22-9-7-21(8-10-22)12-17(23)15-3-4-15/h1-2,5-6,15,17,23H,3-4,7-13H2,(H,20,24)
InChIKeyVMDPTSRMKCLUSS-UHFFFAOYSA-N
MW335.42 g/mol
LogP0.83
Rot. Bonds7

About 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 71783283) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID71783283
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-16-5-1-14(2-6-16)11-20-18(24)13-22-9-7-21(8-10-22)12-17(23)15-3-4-15/h1-2,5-6,15,17,23H,3-4,7-13H2,(H,20,24)
InChIKeyVMDPTSRMKCLUSS-UHFFFAOYSA-N
XLogP0.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 71783283) is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VMDPTSRMKCLUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-16-5-1-14(2-6-16)11-20-18(24)13-22-9-7-21(8-10-22)12-17(23)15-3-4-15/h1-2,5-6,15,17,23H,3-4,7-13H2,(H,20,24).
What are the key properties of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 71783283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).