1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one

C17H19N3O2 — CID 39146759

IUPAC1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
SMILESO=C(c1ccc(Cn2ccc(=O)cc2)cc1)N1CCNCC1
InChIInChI=1S/C17H19N3O2/c21-16-5-9-19(10-6-16)13-14-1-3-15(4-2-14)17(22)20-11-7-18-8-12-20/h1-6,9-10,18H,7-8,11-13H2
InChIKeyAQIODJBLHIBJAI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.94
Rot. Bonds3

About 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one

1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one (PubChem CID 39146759) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
PubChem CID39146759
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
SMILESO=C(c1ccc(Cn2ccc(=O)cc2)cc1)N1CCNCC1
InChIInChI=1S/C17H19N3O2/c21-16-5-9-19(10-6-16)13-14-1-3-15(4-2-14)17(22)20-11-7-18-8-12-20/h1-6,9-10,18H,7-8,11-13H2
InChIKeyAQIODJBLHIBJAI-UHFFFAOYSA-N
XLogP0.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 119401688
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
[4-(1,9-dithia-5,13-diazacyclohexadec-5-ylmethyl)phenyl]-(1,4,8,11-tetrazacyclotetradec-1-yl)methanone
CID 10603303
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperazin-1-ylmethanone
CID 119400480
[4-(1,7-dithia-4,11-diazacyclotetradec-11-ylmethyl)phenyl]-(1,4,8,11-tetrazacyclotetradec-1-yl)methanone
CID 10697922
[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
CID 119402210
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one (CID 39146759) is 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one is O=C(c1ccc(Cn2ccc(=O)cc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The InChIKey is AQIODJBLHIBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-5-9-19(10-6-16)13-14-1-3-15(4-2-14)17(22)20-11-7-18-8-12-20/h1-6,9-10,18H,7-8,11-13H2.
What are the key properties of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one is sourced from PubChem (CID 39146759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).