(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone

C10H19N3O — CID 145087552

IUPAC(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN2C)CC1
InChIInChI=1S/C10H19N3O/c1-11-5-7-13(8-6-11)10(14)9-3-4-12(9)2/h9H,3-8H2,1-2H3
InChIKeyZPFQXRROZXYKSG-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.54
Rot. Bonds1

About (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone

(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 145087552) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID145087552
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN2C)CC1
InChIInChI=1S/C10H19N3O/c1-11-5-7-13(8-6-11)10(14)9-3-4-12(9)2/h9H,3-8H2,1-2H3
InChIKeyZPFQXRROZXYKSG-UHFFFAOYSA-N
XLogP-0.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
CID 110850171
(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
CID 129151320
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 58394627

Frequently Asked Questions

What is the IUPAC name of (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 145087552) is (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN2C)CC1.
What is the InChIKey of (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZPFQXRROZXYKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-5-7-13(8-6-11)10(14)9-3-4-12(9)2/h9H,3-8H2,1-2H3.
What are the key properties of (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of -0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 145087552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).