3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

C20H31N3O4 — CID 110603433

IUPAC3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C20H31N3O4/c1-5-21(6-2)11-10-18(24)22-12-14-23(15-13-22)20(25)19-16(26-3)8-7-9-17(19)27-4/h7-9H,5-6,10-15H2,1-4H3
InChIKeyBMIZAULBTIJRPO-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.72
Rot. Bonds8

About 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110603433) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110603433
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C20H31N3O4/c1-5-21(6-2)11-10-18(24)22-12-14-23(15-13-22)20(25)19-16(26-3)8-7-9-17(19)27-4/h7-9H,5-6,10-15H2,1-4H3
InChIKeyBMIZAULBTIJRPO-UHFFFAOYSA-N
XLogP1.72
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108567802
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108533985
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 108533983
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110818045
phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
CID 110603452
3-(diethylamino)-1-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 110619816
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110797926
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108533941
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108544530

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (CID 110603433) is 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is CCN(CC)CCC(=O)N1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is BMIZAULBTIJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-5-21(6-2)11-10-18(24)22-12-14-23(15-13-22)20(25)19-16(26-3)8-7-9-17(19)27-4/h7-9H,5-6,10-15H2,1-4H3.
What are the key properties of 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).