1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone

C18H20N2O2 — CID 51161828

IUPAC1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O2/c1-14(21)19-8-10-20(11-9-19)18(22)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeyHIZSZYXUVDXDCA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.07
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone

1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone (PubChem CID 51161828) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
PubChem CID51161828
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H20N2O2/c1-14(21)19-8-10-20(11-9-19)18(22)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeyHIZSZYXUVDXDCA-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
CID 75369355
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone (CID 51161828) is 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone is CC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The InChIKey is HIZSZYXUVDXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(21)19-8-10-20(11-9-19)18(22)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone has a molecular weight of 296.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 51161828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).