2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one

C13H27N3O2 — CID 119838581

IUPAC2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(CCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-5-13(2,14)12(17)16-8-6-15(7-9-16)10-11-18-3/h4-11,14H2,1-3H3
InChIKeyWMCDUIDWNYFIEF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one

2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 119838581) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
PubChem CID119838581
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(CCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-5-13(2,14)12(17)16-8-6-15(7-9-16)10-11-18-3/h4-11,14H2,1-3H3
InChIKeyWMCDUIDWNYFIEF-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104934
2-amino-2-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119738915
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119710130
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
2-[4-(2-amino-2-methylpentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837894

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one (CID 119838581) is 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCN(CCOC)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is WMCDUIDWNYFIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-5-13(2,14)12(17)16-8-6-15(7-9-16)10-11-18-3/h4-11,14H2,1-3H3.
What are the key properties of 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one?
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 119838581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).