(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone

C14H20N2O2 — CID 71877397

IUPAC(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCC1CN(C)CCN1C(=O)C1CC1c1ccco1
InChIInChI=1S/C14H20N2O2/c1-10-9-15(2)5-6-16(10)14(17)12-8-11(12)13-4-3-7-18-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyUMGADMPEBSQSMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone

(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 71877397) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID71877397
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCC1CN(C)CCN1C(=O)C1CC1c1ccco1
InChIInChI=1S/C14H20N2O2/c1-10-9-15(2)5-6-16(10)14(17)12-8-11(12)13-4-3-7-18-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyUMGADMPEBSQSMP-UHFFFAOYSA-N
XLogP1.55
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone (CID 71877397) is (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone is CC1CN(C)CCN1C(=O)C1CC1c1ccco1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is UMGADMPEBSQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-15(2)5-6-16(10)14(17)12-8-11(12)13-4-3-7-18-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone?
(2,4-dimethylpiperazin-1-yl)-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.55, 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)-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 71877397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).