(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone

C12H22N2O2 — CID 81462888

IUPAC(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3
InChIKeyKREIEYKAUWCYQP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone (PubChem CID 81462888) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
PubChem CID81462888
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
SMILESCC1CCOC1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3
InChIKeyKREIEYKAUWCYQP-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
1-(3-methyloxolane-2-carbonyl)-1,4-diazepan-5-one
CID 81448608
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
CID 81448721
(3-chloro-4-methylpiperidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 102961746
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 79506964
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyloxolan-2-yl)methanone
CID 114778389
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 120983111

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone (CID 81462888) is (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone is CC1CCOC1C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone?
The InChIKey is KREIEYKAUWCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-4-7-16-10(9)11(15)14-6-5-13-12(2,3)8-14/h9-10,13H,4-8H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81462888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).