[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone

C10H19N3O — CID 130636739

IUPAC[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)[C@H]1CCN1
InChIInChI=1S/C10H19N3O/c1-7-5-11-6-8(2)13(7)10(14)9-3-4-12-9/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeySWNMHDYTFLWDIA-HRDYMLBCSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds1

About [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone

[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (PubChem CID 130636739) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
PubChem CID130636739
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)[C@H]1CCN1
InChIInChI=1S/C10H19N3O/c1-7-5-11-6-8(2)13(7)10(14)9-3-4-12-9/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeySWNMHDYTFLWDIA-HRDYMLBCSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
CID 81479273
(2,6-dimethylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422691
(2,6-dimethylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 63911588
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
(2,6-dimethylpiperazin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856290
azetidin-2-yl(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 164661076
(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826406
(2S,6S)-N-cyclopropyl-N,2,6-trimethylpiperazine-1-carboxamide
CID 178096278
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572

Frequently Asked Questions

What is the IUPAC name of [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (CID 130636739) is [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone is C[C@@H]1CNC[C@H](C)N1C(=O)[C@H]1CCN1.
What is the InChIKey of [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone?
The InChIKey is SWNMHDYTFLWDIA-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-5-11-6-8(2)13(7)10(14)9-3-4-12-9/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone?
[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone has a molecular weight of 197.28 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 130636739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).