4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one

C14H19N3O2 — CID 62734574

IUPAC4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
SMILESCN(C)Cc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)9-11-3-5-12(6-4-11)14(19)17-8-7-15-13(18)10-17/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyHFBLDCSJQHQHOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.32
Rot. Bonds3

About 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one

4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one (PubChem CID 62734574) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
PubChem CID62734574
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
SMILESCN(C)Cc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C14H19N3O2/c1-16(2)9-11-3-5-12(6-4-11)14(19)17-8-7-15-13(18)10-17/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyHFBLDCSJQHQHOV-UHFFFAOYSA-N
XLogP0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111307530
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111294017
1-[(4-ethylphenyl)methyl]-1,2-dimethyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111283250
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 119283789
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
1-benzyl-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 110952096
(2S)-2-amino-3-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]butanamide
CID 119283797

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one?
The IUPAC name of 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one (CID 62734574) is 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one is CN(C)Cc1ccc(C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one?
The InChIKey is HFBLDCSJQHQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)9-11-3-5-12(6-4-11)14(19)17-8-7-15-13(18)10-17/h3-6H,7-10H2,1-2H3,(H,15,18).
What are the key properties of 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one?
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one is sourced from PubChem (CID 62734574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).