1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one

C21H24N4O — CID 120878290

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESCn1ccnc1C1CNCCN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C21H24N4O/c1-24-12-11-23-21(24)19-15-22-10-13-25(19)20(26)9-7-16-6-8-17-4-2-3-5-18(17)14-16/h2-6,8,11-12,14,19,22H,7,9-10,13,15H2,1H3
InChIKeyZZFMZATZRQRBKM-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one (PubChem CID 120878290) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
PubChem CID120878290
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESCn1ccnc1C1CNCCN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C21H24N4O/c1-24-12-11-23-21(24)19-15-22-10-13-25(19)20(26)9-7-16-6-8-17-4-2-3-5-18(17)14-16/h2-6,8,11-12,14,19,22H,7,9-10,13,15H2,1H3
InChIKeyZZFMZATZRQRBKM-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 120877375
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120878619
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120878211
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 120878210
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one (CID 120878290) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one is Cn1ccnc1C1CNCCN1C(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The InChIKey is ZZFMZATZRQRBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-12-11-23-21(24)19-15-22-10-13-25(19)20(26)9-7-16-6-8-17-4-2-3-5-18(17)14-16/h2-6,8,11-12,14,19,22H,7,9-10,13,15H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one has a molecular weight of 348.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 120878290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).