1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone

C28H33N3O2 — CID 660511

IUPAC1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H33N3O2/c32-28(22-33-27-11-10-24-8-4-5-9-25(24)20-27)31-18-16-30(17-19-31)26-12-14-29(15-13-26)21-23-6-2-1-3-7-23/h1-11,20,26H,12-19,21-22H2
InChIKeyFZFFIWHRMIKOQW-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 660511) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID660511
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H33N3O2/c32-28(22-33-27-11-10-24-8-4-5-9-25(24)20-27)31-18-16-30(17-19-31)26-12-14-29(15-13-26)21-23-6-2-1-3-7-23/h1-11,20,26H,12-19,21-22H2
InChIKeyFZFFIWHRMIKOQW-UHFFFAOYSA-N
XLogP4.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
CID 9955819
2-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-(4-naphthalen-1-ylpiperazin-1-yl)ethanone
CID 10672840
2-(Biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 2911244
1-[(2r)-2-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)piperidin-1-Yl]-2-Phenoxyethanone
CID 71304792
1-[4-(4-Ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
CID 137349228
1-[4-[(2-Methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 71461632
N-benzyl-N-methyl-2-(2-naphthyloxy)acetamide
CID 833263
2-Naphthalen-1-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 685759
2-Naphthalen-2-yloxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 875122
2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-[4-(2,4,6-trimethyl-phenyl)-piperazin-1-yl]-ethanone
CID 10791125
1-(4-(3-(4-(4-Methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)ethanone
CID 11546625
1-(4-(3-(4-(4-Methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperazin-1-yl)-2-methylpropan-1-one
CID 11648391

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone (CID 660511) is 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is FZFFIWHRMIKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c32-28(22-33-27-11-10-24-8-4-5-9-25(24)20-27)31-18-16-30(17-19-31)26-12-14-29(15-13-26)21-23-6-2-1-3-7-23/h1-11,20,26H,12-19,21-22H2.
What are the key properties of 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 443.59 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 660511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).