4-amino-3-methyl-1-piperazin-1-ylbutan-1-one

C9H19N3O — CID 81072124

IUPAC4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(CN)CC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(7-10)6-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3
InChIKeyXKBGTMYQIYQNKJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds3

About 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one

4-amino-3-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 81072124) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID81072124
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(CN)CC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O/c1-8(7-10)6-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3
InChIKeyXKBGTMYQIYQNKJ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
CID 81079124
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
CID 81079240
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one (CID 81072124) is 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one is CC(CN)CC(=O)N1CCNCC1.
What is the InChIKey of 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is XKBGTMYQIYQNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(7-10)6-9(13)12-4-2-11-3-5-12/h8,11H,2-7,10H2,1H3.
What are the key properties of 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one?
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 81072124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).