2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone

C14H26N2O — CID 70906760

IUPAC2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone
SMILESCCC(C)(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-4-14(2,3)16-9-7-15(8-10-16)13(17)11-12-5-6-12/h12H,4-11H2,1-3H3
InChIKeyFCMKGAWSACGQPU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds4

About 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone

2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone (PubChem CID 70906760) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone
PubChem CID70906760
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone
SMILESCCC(C)(C)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-4-14(2,3)16-9-7-15(8-10-16)13(17)11-12-5-6-12/h12H,4-11H2,1-3H3
InChIKeyFCMKGAWSACGQPU-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone (CID 70906760) is 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone is CCC(C)(C)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone?
The InChIKey is FCMKGAWSACGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-14(2,3)16-9-7-15(8-10-16)13(17)11-12-5-6-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone?
2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70906760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).