N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C22H28FN3O — CID 3545581

IUPACN-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-3-17(2)18-4-8-20(9-5-18)24-22(27)16-25-12-14-26(15-13-25)21-10-6-19(23)7-11-21/h4-11,17H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyBHKKIFKXNBVJFM-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.10
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3545581) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3545581
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-3-17(2)18-4-8-20(9-5-18)24-22(27)16-25-12-14-26(15-13-25)21-10-6-19(23)7-11-21/h4-11,17H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyBHKKIFKXNBVJFM-UHFFFAOYSA-N
XLogP4.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
CID 110313451
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 3545581) is N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is CCC(C)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is BHKKIFKXNBVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-3-17(2)18-4-8-20(9-5-18)24-22(27)16-25-12-14-26(15-13-25)21-10-6-19(23)7-11-21/h4-11,17H,3,12-16H2,1-2H3,(H,24,27).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 369.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3545581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).