(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone

C11H20N2O2 — CID 177202718

IUPAC(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
SMILESCOC1(C(=O)N2CCN(C)CC2C)CC1
InChIInChI=1S/C11H20N2O2/c1-9-8-12(2)6-7-13(9)10(14)11(15-3)4-5-11/h9H,4-8H2,1-3H3
InChIKeyDHGIGZFWIRINQI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone

(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone (PubChem CID 177202718) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
PubChem CID177202718
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
SMILESCOC1(C(=O)N2CCN(C)CC2C)CC1
InChIInChI=1S/C11H20N2O2/c1-9-8-12(2)6-7-13(9)10(14)11(15-3)4-5-11/h9H,4-8H2,1-3H3
InChIKeyDHGIGZFWIRINQI-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(1-methoxycyclopropyl)-[2-(methoxymethyl)-4-methylpiperazin-1-yl]methanone
CID 177202764
(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
CID 177202749
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
CID 167978802
(1-methoxycyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 169181474
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086567
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114085692
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide
CID 97093874
(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315084

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone (CID 177202718) is (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone is COC1(C(=O)N2CCN(C)CC2C)CC1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone?
The InChIKey is DHGIGZFWIRINQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-8-12(2)6-7-13(9)10(14)11(15-3)4-5-11/h9H,4-8H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone?
(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone is sourced from PubChem (CID 177202718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).