2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one

C15H29N3O2 — CID 60938064

IUPAC2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-6-15(2,16)14(19)18-9-7-17(8-10-18)12-13-5-4-11-20-13/h13H,3-12,16H2,1-2H3
InChIKeyAXZNEYQRYXSKJK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one

2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 60938064) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID60938064
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-6-15(2,16)14(19)18-9-7-17(8-10-18)12-13-5-4-11-20-13/h13H,3-12,16H2,1-2H3
InChIKeyAXZNEYQRYXSKJK-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one (CID 60938064) is 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one is CCCC(C)(N)C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is AXZNEYQRYXSKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-6-15(2,16)14(19)18-9-7-17(8-10-18)12-13-5-4-11-20-13/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one?
2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 60938064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).