N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide

C18H26FN3O2 — CID 43020083

IUPACN-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-3-8-20-17(23)14-21-9-11-22(12-10-21)18(24)13-15-6-4-5-7-16(15)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyPHLWHQFBRWUOLY-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.43
Rot. Bonds7

About N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 43020083) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID43020083
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-3-8-20-17(23)14-21-9-11-22(12-10-21)18(24)13-15-6-4-5-7-16(15)19/h4-7H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyPHLWHQFBRWUOLY-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
N-butyl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 18163217
N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 17463637
N-butyl-2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 18163237
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 35359411
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-butyl-4-[(2-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19291263
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119754849

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide (CID 43020083) is N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is PHLWHQFBRWUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-3-8-20-17(23)14-21-9-11-22(12-10-21)18(24)13-15-6-4-5-7-16(15)19/h4-7H,2-3,8-14H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43020083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).