(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone

C13H24N2O — CID 164726814

IUPAC(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1C(C)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-9(2)11-10(3)12(11)13(16)15-7-5-14(4)6-8-15/h9-12H,5-8H2,1-4H3
InChIKeyQUHMZOPZEOYKNI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.30
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone

(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone (PubChem CID 164726814) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone
PubChem CID164726814
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1C(C)C1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H24N2O/c1-9(2)11-10(3)12(11)13(16)15-7-5-14(4)6-8-15/h9-12H,5-8H2,1-4H3
InChIKeyQUHMZOPZEOYKNI-UHFFFAOYSA-N
XLogP1.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-3,4,5,6-tetramethylcyclohexyl)-(4-methylpiperazin-1-yl)methanone
CID 159682298
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 145087552
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 65157041
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbothioic S-acid
CID 88529177
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone (CID 164726814) is (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone is CC(C)C1C(C)C1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone?
The InChIKey is QUHMZOPZEOYKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)11-10(3)12(11)13(16)15-7-5-14(4)6-8-15/h9-12H,5-8H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone?
(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 164726814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).