1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one

C17H19N3O2 — CID 39146763

IUPAC1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
SMILESO=C(c1cccc(Cn2ccc(=O)cc2)c1)N1CCNCC1
InChIInChI=1S/C17H19N3O2/c21-16-4-8-19(9-5-16)13-14-2-1-3-15(12-14)17(22)20-10-6-18-7-11-20/h1-5,8-9,12,18H,6-7,10-11,13H2
InChIKeyRQZCOIMEDMREMQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.94
Rot. Bonds3

About 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one

1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one (PubChem CID 39146763) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
PubChem CID39146763
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
SMILESO=C(c1cccc(Cn2ccc(=O)cc2)c1)N1CCNCC1
InChIInChI=1S/C17H19N3O2/c21-16-4-8-19(9-5-16)13-14-2-1-3-15(12-14)17(22)20-10-6-18-7-11-20/h1-5,8-9,12,18H,6-7,10-11,13H2
InChIKeyRQZCOIMEDMREMQ-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

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Related Compounds

1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146759
3-[(4-oxo-1-pyridinyl)methyl]benzoic acid
CID 62880330
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822
3-[[3-(piperazine-1-carbonyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 39161903
[3-(benzenesulfonylmethyl)phenyl]-piperazin-1-ylmethanone
CID 119403801
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
2-(4-chlorophenyl)-1'-[[3-(piperazine-1-carbonyl)phenyl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 75988767

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one (CID 39146763) is 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one is O=C(c1cccc(Cn2ccc(=O)cc2)c1)N1CCNCC1.
What is the InChIKey of 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
The InChIKey is RQZCOIMEDMREMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-4-8-19(9-5-16)13-14-2-1-3-15(12-14)17(22)20-10-6-18-7-11-20/h1-5,8-9,12,18H,6-7,10-11,13H2.
What are the key properties of 1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one?
1-[[3-(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-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one is sourced from PubChem (CID 39146763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).