2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide

C15H22FN3O — CID 1439429

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-12(2)17-15(20)11-18-7-9-19(10-8-18)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyRYXDRVLHUCXTCR-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.47
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 1439429) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID1439429
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-12(2)17-15(20)11-18-7-9-19(10-8-18)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyRYXDRVLHUCXTCR-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8703887
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N'-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 1280805
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 1439429) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is RYXDRVLHUCXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(2)17-15(20)11-18-7-9-19(10-8-18)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 279.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 1439429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).