(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C15H27N3O — CID 66475603

IUPAC(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CC(N3CCNCC3)C2)C1(C)C
InChIInChI=1S/C15H27N3O/c1-14(2)12(15(14,3)4)13(19)18-9-11(10-18)17-7-5-16-6-8-17/h11-12,16H,5-10H2,1-4H3
InChIKeyLZVMRUOVBKTZJR-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.78
Rot. Bonds2

About (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66475603) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66475603
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CC(N3CCNCC3)C2)C1(C)C
InChIInChI=1S/C15H27N3O/c1-14(2)12(15(14,3)4)13(19)18-9-11(10-18)17-7-5-16-6-8-17/h11-12,16H,5-10H2,1-4H3
InChIKeyLZVMRUOVBKTZJR-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66475603) is (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CC(N3CCNCC3)C2)C1(C)C.
What is the InChIKey of (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LZVMRUOVBKTZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2)12(15(14,3)4)13(19)18-9-11(10-18)17-7-5-16-6-8-17/h11-12,16H,5-10H2,1-4H3.
What are the key properties of (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 265.40 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66475603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).