2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C23H31N3O2 — CID 131907631

IUPAC2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C23H31N3O2/c1-5-28-21-9-7-6-8-20(21)25-14-16-26(17-15-25)23(27)22(24(3)4)19-12-10-18(2)11-13-19/h6-13,22H,5,14-17H2,1-4H3
InChIKeyNSQNZXZBBQLQFE-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.35
Rot. Bonds6

About 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 131907631) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID131907631
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C23H31N3O2/c1-5-28-21-9-7-6-8-20(21)25-14-16-26(17-15-25)23(27)22(24(3)4)19-12-10-18(2)11-13-19/h6-13,22H,5,14-17H2,1-4H3
InChIKeyNSQNZXZBBQLQFE-UHFFFAOYSA-N
XLogP3.35
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 40783173
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 131889644
(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
CID 97129286
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 5105018

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 131907631) is 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is CCOc1ccccc1N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is NSQNZXZBBQLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-28-21-9-7-6-8-20(21)25-14-16-26(17-15-25)23(27)22(24(3)4)19-12-10-18(2)11-13-19/h6-13,22H,5,14-17H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 381.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 131907631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).