ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone

C15H24N2O2 — CID 142506558

IUPACethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCC.COc1cccc(C2CN(C(C)=O)CCN2)c1
InChIInChI=1S/C13H18N2O2.C2H6/c1-10(16)15-7-6-14-13(9-15)11-4-3-5-12(8-11)17-2;1-2/h3-5,8,13-14H,6-7,9H2,1-2H3;1-2H3
InChIKeyFBCAQVHXTOEENJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.21
Rot. Bonds2

About ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone

ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 142506558) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID142506558
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCC.COc1cccc(C2CN(C(C)=O)CCN2)c1
InChIInChI=1S/C13H18N2O2.C2H6/c1-10(16)15-7-6-14-13(9-15)11-4-3-5-12(8-11)17-2;1-2/h3-5,8,13-14H,6-7,9H2,1-2H3;1-2H3
InChIKeyFBCAQVHXTOEENJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 167926537
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 167745798
[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 146076557
(3S,4R)-1-acetyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70714398
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
4-(3-methoxyphenyl)-1-(2-oxopropyl)imidazolidin-2-one
CID 116980510
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
CID 129211895
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone (CID 142506558) is ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone is CC.COc1cccc(C2CN(C(C)=O)CCN2)c1.
What is the InChIKey of ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is FBCAQVHXTOEENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6/c1-10(16)15-7-6-14-13(9-15)11-4-3-5-12(8-11)17-2;1-2/h3-5,8,13-14H,6-7,9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone?
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 142506558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).