Piberaline

C17H19N3O — CID 65975

IUPAC(4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESC1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3
InChIInChI=1S/C17H19N3O/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyTZFUBYYADABEAV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.00
Rot. Bonds3

About Piberaline

Piberaline (PubChem CID 65975) has the molecular formula C17H19N3O and a molecular weight of 281.35 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound NamePiberaline
PubChem CID65975
Molecular FormulaC17H19N3O
Molecular Weight281.35 g/mol
Exact Mass281.15
IUPAC Name(4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESC1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3
InChIInChI=1S/C17H19N3O/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyTZFUBYYADABEAV-UHFFFAOYSA-N
XLogP2.00
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity333

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Daporinad
CID 6914657
Befiradol
CID 9865384
Saruparib
CID 155586901
2-Benzoylpyridine
CID 7038
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
2-Acetyl-4-methylpyridine
CID 564760
Bupicomide
CID 31447
Lsn2463359
CID 72551298
Kdoam-25
CID 91810435
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2-carbohydrazide
CID 6878849
Picolinic acid, 2-benzylhydrazide
CID 73101

Frequently Asked Questions

What is the IUPAC name of Piberaline?
The IUPAC name of Piberaline (CID 65975) is (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for Piberaline?
The canonical SMILES for Piberaline is C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3.
What is the InChIKey of Piberaline?
The InChIKey is TZFUBYYADABEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of Piberaline?
Piberaline has a molecular weight of 281.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Piberaline is sourced from PubChem (CID 65975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).