4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one

C14H19N3O2 — CID 110741167

IUPAC4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-15(2)12-6-4-11(5-7-12)14(19)17-9-8-16(3)13(18)10-17/h4-7H,8-10H2,1-3H3
InChIKeyFPOZWHADGOVQLZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.67
Rot. Bonds2

About 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one

4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one (PubChem CID 110741167) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
PubChem CID110741167
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-15(2)12-6-4-11(5-7-12)14(19)17-9-8-16(3)13(18)10-17/h4-7H,8-10H2,1-3H3
InChIKeyFPOZWHADGOVQLZ-UHFFFAOYSA-N
XLogP0.67
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)indole-2-carboxylic acid
CID 175931869
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
CID 64694144
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one (CID 110741167) is 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1=O.
What is the InChIKey of 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one?
The InChIKey is FPOZWHADGOVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15(2)12-6-4-11(5-7-12)14(19)17-9-8-16(3)13(18)10-17/h4-7H,8-10H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one?
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 110741167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).