4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one

C10H21N3O — CID 63594571

IUPAC4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCCC(CN)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H21N3O/c1-4-8(7-11)13-6-5-12-9(14)10(13,2)3/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyIAYOSLJSFMUKTR-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds3

About 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one

4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 63594571) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID63594571
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCCC(CN)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H21N3O/c1-4-8(7-11)13-6-5-12-9(14)10(13,2)3/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyIAYOSLJSFMUKTR-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63594887
4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63594710
2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
CID 3157129
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
CID 63595234
4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63595407
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-methoxypropanoic acid
CID 103224753
4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 55215724
4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 63595404
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594889
4-ethylsulfonyl-3,3-dimethylpiperazin-2-one
CID 63607786
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one (CID 63594571) is 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one is CCC(CN)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is IAYOSLJSFMUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-8(7-11)13-6-5-12-9(14)10(13,2)3/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one?
4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63594571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).