2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

C17H27N3O2 — CID 120733069

IUPAC2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCNCC1c1ccccc1OC
InChIInChI=1S/C17H27N3O2/c1-4-19(5-2)13-17(21)20-11-10-18-12-15(20)14-8-6-7-9-16(14)22-3/h6-9,15,18H,4-5,10-13H2,1-3H3
InChIKeyUHHSNMQKTJTSLD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.51
Rot. Bonds6

About 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 120733069) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID120733069
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCNCC1c1ccccc1OC
InChIInChI=1S/C17H27N3O2/c1-4-19(5-2)13-17(21)20-11-10-18-12-15(20)14-8-6-7-9-16(14)22-3/h6-9,15,18H,4-5,10-13H2,1-3H3
InChIKeyUHHSNMQKTJTSLD-UHFFFAOYSA-N
XLogP1.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
2-(4-hydroxyphenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734879
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 120733069) is 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is CCN(CC)CC(=O)N1CCNCC1c1ccccc1OC.
What is the InChIKey of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is UHHSNMQKTJTSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-19(5-2)13-17(21)20-11-10-18-12-15(20)14-8-6-7-9-16(14)22-3/h6-9,15,18H,4-5,10-13H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120733069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).