2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide

C16H22FN3O2 — CID 163845159

IUPAC2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
SMILESCC(C)C(=O)N1CCN(c2ccc(F)cc2)C[C@H]1CC(N)=O
InChIInChI=1S/C16H22FN3O2/c1-11(2)16(22)20-8-7-19(10-14(20)9-15(18)21)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,21)/t14-/m1/s1
InChIKeyOPNFIFGKWIVCMY-CQSZACIVSA-N
MW307.37 g/mol
LogP1.37
Rot. Bonds4

About 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide

2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide (PubChem CID 163845159) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
PubChem CID163845159
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
SMILESCC(C)C(=O)N1CCN(c2ccc(F)cc2)C[C@H]1CC(N)=O
InChIInChI=1S/C16H22FN3O2/c1-11(2)16(22)20-8-7-19(10-14(20)9-15(18)21)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,21)/t14-/m1/s1
InChIKeyOPNFIFGKWIVCMY-CQSZACIVSA-N
XLogP1.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide (CID 163845159) is 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide is CC(C)C(=O)N1CCN(c2ccc(F)cc2)C[C@H]1CC(N)=O.
What is the InChIKey of 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide?
The InChIKey is OPNFIFGKWIVCMY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-11(2)16(22)20-8-7-19(10-14(20)9-15(18)21)13-5-3-12(17)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H2,18,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide?
2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 163845159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).