N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide

C14H20FN3O — CID 28505813

IUPACN-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O/c15-13-4-2-1-3-12(13)5-6-17-14(19)11-18-9-7-16-8-10-18/h1-4,16H,5-11H2,(H,17,19)
InChIKeyPFHOYDCKEKDFLR-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.39
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide

N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 28505813) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID28505813
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCc1ccccc1F
InChIInChI=1S/C14H20FN3O/c15-13-4-2-1-3-12(13)5-6-17-14(19)11-18-9-7-16-8-10-18/h1-4,16H,5-11H2,(H,17,19)
InChIKeyPFHOYDCKEKDFLR-UHFFFAOYSA-N
XLogP0.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-formylpiperazin-1-yl)acetamide
CID 108995730
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
N-[2-(2-fluorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211196
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686511
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230606
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide (CID 28505813) is N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is PFHOYDCKEKDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-4-2-1-3-12(13)5-6-17-14(19)11-18-9-7-16-8-10-18/h1-4,16H,5-11H2,(H,17,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide?
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 265.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28505813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).