3-(pyridin-2-ylmethyl)piperazin-2-one

C10H13N3O — CID 55253321

IUPAC3-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1NCCNC1Cc1ccccn1
InChIInChI=1S/C10H13N3O/c14-10-9(12-5-6-13-10)7-8-3-1-2-4-11-8/h1-4,9,12H,5-7H2,(H,13,14)
InChIKeyWOPIYPCMJSBYPJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.29
Rot. Bonds2

About 3-(pyridin-2-ylmethyl)piperazin-2-one

3-(pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 55253321) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)piperazin-2-one
PubChem CID55253321
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1NCCNC1Cc1ccccn1
InChIInChI=1S/C10H13N3O/c14-10-9(12-5-6-13-10)7-8-3-1-2-4-11-8/h1-4,9,12H,5-7H2,(H,13,14)
InChIKeyWOPIYPCMJSBYPJ-UHFFFAOYSA-N
XLogP-0.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 71421611
3-benzyl-1,4-diazepan-2-one
CID 78068532
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
2-(cyclohexylmethyl)pyridine
CID 14762660
3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one
CID 95813178
6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione
CID 23422503
3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one;dihydrochloride
CID 119057209
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
(3S)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95813169
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)piperazin-2-one (CID 55253321) is 3-(pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)piperazin-2-one is O=C1NCCNC1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is WOPIYPCMJSBYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-9(12-5-6-13-10)7-8-3-1-2-4-11-8/h1-4,9,12H,5-7H2,(H,13,14).
What are the key properties of 3-(pyridin-2-ylmethyl)piperazin-2-one?
3-(pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 191.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 55253321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).