1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone

C20H31N3O2 — CID 167843001

IUPAC1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)C(C(C)C)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-6-21(7-2)18-10-8-17(9-11-18)20(25)22-12-13-23(16(5)24)19(14-22)15(3)4/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyMRIHRWKZURROLI-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.86
Rot. Bonds5

About 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone

1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone (PubChem CID 167843001) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone
PubChem CID167843001
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)C(C(C)C)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-6-21(7-2)18-10-8-17(9-11-18)20(25)22-12-13-23(16(5)24)19(14-22)15(3)4/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyMRIHRWKZURROLI-UHFFFAOYSA-N
XLogP2.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
6-[4-[4-(diethylamino)benzoyl]-1,4-diazepan-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53107633
1-[4-(diethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43355562
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638827
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone (CID 167843001) is 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone is CCN(CC)c1ccc(C(=O)N2CCN(C(C)=O)C(C(C)C)C2)cc1.
What is the InChIKey of 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone?
The InChIKey is MRIHRWKZURROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-6-21(7-2)18-10-8-17(9-11-18)20(25)22-12-13-23(16(5)24)19(14-22)15(3)4/h8-11,15,19H,6-7,12-14H2,1-5H3.
What are the key properties of 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone?
1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(diethylamino)benzoyl]-2-propan-2-ylpiperazin-1-yl]ethanone is sourced from PubChem (CID 167843001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).