3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one

C12H17N3O — CID 102878684

IUPAC3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
SMILESCc1cncc(CN2CCNC(C)C2=O)c1
InChIInChI=1S/C12H17N3O/c1-9-5-11(7-13-6-9)8-15-4-3-14-10(2)12(15)16/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyDKNMSTSXEXDQDQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.71
Rot. Bonds2

About 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one

3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one (PubChem CID 102878684) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
PubChem CID102878684
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
SMILESCc1cncc(CN2CCNC(C)C2=O)c1
InChIInChI=1S/C12H17N3O/c1-9-5-11(7-13-6-9)8-15-4-3-14-10(2)12(15)16/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyDKNMSTSXEXDQDQ-UHFFFAOYSA-N
XLogP0.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 104810261
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879797
3-cyclopropyl-7-methyl-1-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 102879830
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-2-one
CID 63258734
6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879726
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879734
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
1-[(4-ethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258827

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one?
The IUPAC name of 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one (CID 102878684) is 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one?
The canonical SMILES for 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one is Cc1cncc(CN2CCNC(C)C2=O)c1.
What is the InChIKey of 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one?
The InChIKey is DKNMSTSXEXDQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-5-11(7-13-6-9)8-15-4-3-14-10(2)12(15)16/h5-7,10,14H,3-4,8H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one?
3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one is sourced from PubChem (CID 102878684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).