cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone

C11H20N2O — CID 82241133

IUPACcyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CNCCN1C(=O)C1CC1
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9-3-4-9/h8-10,12H,3-7H2,1-2H3
InChIKeyDQFQUBRZYOBQFR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds2

About cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone

cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82241133) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82241133
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CNCCN1C(=O)C1CC1
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9-3-4-9/h8-10,12H,3-7H2,1-2H3
InChIKeyDQFQUBRZYOBQFR-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone (CID 82241133) is cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone is CC(C)C1CNCCN1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DQFQUBRZYOBQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9-3-4-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone?
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 196.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82241133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).