2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

C11H23N3O — CID 43649671

IUPAC2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-4-10(12)11(15)14-7-5-13(6-8-14)9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyNCXWNHLMSCGNGT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 43649671) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
PubChem CID43649671
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-4-10(12)11(15)14-7-5-13(6-8-14)9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyNCXWNHLMSCGNGT-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (CID 43649671) is 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is CCC(N)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is NCXWNHLMSCGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-10(12)11(15)14-7-5-13(6-8-14)9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 43649671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).