N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C26H26FN3O3 — CID 55959409

IUPACN-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Cc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C26H26FN3O3/c1-18-9-10-21(15-23(18)27)26(33)30-13-11-29(12-14-30)25(32)17-28-24(31)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyUEEQUKLMJMYZSW-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.93
Rot. Bonds5

About N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55959409) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55959409
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Cc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C26H26FN3O3/c1-18-9-10-21(15-23(18)27)26(33)30-13-11-29(12-14-30)25(32)17-28-24(31)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,28,31)
InChIKeyUEEQUKLMJMYZSW-UHFFFAOYSA-N
XLogP2.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
3-amino-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949487
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827633
2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 18125482
(3-fluoro-4-methylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9092139
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55959409) is N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Cc3cccc4ccccc34)CC2)cc1F.
What is the InChIKey of N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UEEQUKLMJMYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18-9-10-21(15-23(18)27)26(33)30-13-11-29(12-14-30)25(32)17-28-24(31)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,28,31).
What are the key properties of N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 447.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55959409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).