N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

C21H24FN3O2 — CID 113108987

IUPACN-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-6-8-19(9-7-17)23-21(27)25-14-12-24(13-15-25)11-10-18-4-2-3-5-20(18)22/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyWFNFJVGJVFFDPD-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.42
Rot. Bonds5

About N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113108987) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113108987
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(CCc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FN3O2/c1-16(26)17-6-8-19(9-7-17)23-21(27)25-14-12-24(13-15-25)11-10-18-4-2-3-5-20(18)22/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyWFNFJVGJVFFDPD-UHFFFAOYSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
1-[4-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 110412144
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113108987) is N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(CCc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is WFNFJVGJVFFDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16(26)17-6-8-19(9-7-17)23-21(27)25-14-12-24(13-15-25)11-10-18-4-2-3-5-20(18)22/h2-9H,10-15H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).