2-(dibenzylamino)-1-piperazin-1-ylethanone

C20H25N3O — CID 67567053

IUPAC2-(dibenzylamino)-1-piperazin-1-ylethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C20H25N3O/c24-20(23-13-11-21-12-14-23)17-22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,21H,11-17H2
InChIKeyXOWIHRCNIJAKFD-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.12
Rot. Bonds6

About 2-(dibenzylamino)-1-piperazin-1-ylethanone

2-(dibenzylamino)-1-piperazin-1-ylethanone (PubChem CID 67567053) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(dibenzylamino)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(dibenzylamino)-1-piperazin-1-ylethanone
PubChem CID67567053
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(dibenzylamino)-1-piperazin-1-ylethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C20H25N3O/c24-20(23-13-11-21-12-14-23)17-22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,21H,11-17H2
InChIKeyXOWIHRCNIJAKFD-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 142196595
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915195
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 78840764
N-benzyl-2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934319
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
CID 154869321
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(dibenzylamino)-1-piperazin-1-ylethanone (CID 67567053) is 2-(dibenzylamino)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(dibenzylamino)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(dibenzylamino)-1-piperazin-1-ylethanone is O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 2-(dibenzylamino)-1-piperazin-1-ylethanone?
The InChIKey is XOWIHRCNIJAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(23-13-11-21-12-14-23)17-22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,21H,11-17H2.
What are the key properties of 2-(dibenzylamino)-1-piperazin-1-ylethanone?
2-(dibenzylamino)-1-piperazin-1-ylethanone has a molecular weight of 323.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-1-piperazin-1-ylethanone is sourced from PubChem (CID 67567053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).