1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one

C19H24N2O2 — CID 82263185

IUPAC1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-2-23-19-8-7-16(15-5-3-4-6-17(15)19)18(22)9-12-21-13-10-20-11-14-21/h3-8,20H,2,9-14H2,1H3
InChIKeyONWMDWBGQJAEFE-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.72
Rot. Bonds6

About 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one

1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82263185) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82263185
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)CCN2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O2/c1-2-23-19-8-7-16(15-5-3-4-6-17(15)19)18(22)9-12-21-13-10-20-11-14-21/h3-8,20H,2,9-14H2,1H3
InChIKeyONWMDWBGQJAEFE-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
CID 82262863
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one (CID 82263185) is 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)CCN2CCNCC2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is ONWMDWBGQJAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-23-19-8-7-16(15-5-3-4-6-17(15)19)18(22)9-12-21-13-10-20-11-14-21/h3-8,20H,2,9-14H2,1H3.
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one?
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 312.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82263185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).