1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one

C19H29N3O2 — CID 110741465

IUPAC1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCN(C)c1cccc(C(=O)N2CCN(CC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)17(23)14-21-9-11-22(12-10-21)18(24)15-7-6-8-16(13-15)20(4)5/h6-8,13H,9-12,14H2,1-5H3
InChIKeySNSLOPOKZKPMMV-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one

1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one (PubChem CID 110741465) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
PubChem CID110741465
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
SMILESCN(C)c1cccc(C(=O)N2CCN(CC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)17(23)14-21-9-11-22(12-10-21)18(24)15-7-6-8-16(13-15)20(4)5/h6-8,13H,9-12,14H2,1-5H3
InChIKeySNSLOPOKZKPMMV-UHFFFAOYSA-N
XLogP2.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 35438430
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709754
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110814766
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one (CID 110741465) is 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one is CN(C)c1cccc(C(=O)N2CCN(CC(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one?
The InChIKey is SNSLOPOKZKPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)17(23)14-21-9-11-22(12-10-21)18(24)15-7-6-8-16(13-15)20(4)5/h6-8,13H,9-12,14H2,1-5H3.
What are the key properties of 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one?
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 110741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).