3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one

C14H21N3O — CID 117023878

IUPAC3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESCC1(C)CN(Cc2cccnc2)C(C)(C)C(=O)N1
InChIInChI=1S/C14H21N3O/c1-13(2)10-17(14(3,4)12(18)16-13)9-11-6-5-7-15-8-11/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyMUPJGVVHODVJHS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds2

About 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one

3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one (PubChem CID 117023878) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
PubChem CID117023878
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
SMILESCC1(C)CN(Cc2cccnc2)C(C)(C)C(=O)N1
InChIInChI=1S/C14H21N3O/c1-13(2)10-17(14(3,4)12(18)16-13)9-11-6-5-7-15-8-11/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyMUPJGVVHODVJHS-UHFFFAOYSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619
8,8-diethyl-6-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64860083
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
CID 64845242
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870204
2,2-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 117014799
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115946533
N,6,6-trimethyl-1-(pyridin-3-ylmethyl)piperidin-3-amine
CID 117021082
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one?
The IUPAC name of 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one (CID 117023878) is 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one is CC1(C)CN(Cc2cccnc2)C(C)(C)C(=O)N1.
What is the InChIKey of 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one?
The InChIKey is MUPJGVVHODVJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2)10-17(14(3,4)12(18)16-13)9-11-6-5-7-15-8-11/h5-8H,9-10H2,1-4H3,(H,16,18).
What are the key properties of 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one?
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 117023878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).