N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C24H25FN4O2 — CID 29166438

IUPACN-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2cccc3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c25-19-8-10-20(11-9-19)26-23(30)16-28-12-14-29(15-13-28)17-24(31)27-22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,26,30)(H,27,31)
InChIKeyIUOWHUIBWWEKPS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.17
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 29166438) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID29166438
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2cccc3ccccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H25FN4O2/c25-19-8-10-20(11-9-19)26-23(30)16-28-12-14-29(15-13-28)17-24(31)27-22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,26,30)(H,27,31)
InChIKeyIUOWHUIBWWEKPS-UHFFFAOYSA-N
XLogP3.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
N-(4-fluorophenyl)-2-[4-(3-naphthalen-1-ylprop-2-ynoyl)-1,4-diazepan-1-yl]acetamide
CID 74227297
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 29166438) is N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)Nc2cccc3ccccc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is IUOWHUIBWWEKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-19-8-10-20(11-9-19)26-23(30)16-28-12-14-29(15-13-28)17-24(31)27-22-7-3-5-18-4-1-2-6-21(18)22/h1-11H,12-17H2,(H,26,30)(H,27,31).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 29166438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).