3-piperazin-1-ylpentan-2-one

C9H18N2O — CID 68969032

IUPAC3-piperazin-1-ylpentan-2-one
SMILESCCC(C(C)=O)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-3-9(8(2)12)11-6-4-10-5-7-11/h9-10H,3-7H2,1-2H3
InChIKeyARXFSUGKPCTXKU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds3

About 3-piperazin-1-ylpentan-2-one

3-piperazin-1-ylpentan-2-one (PubChem CID 68969032) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-piperazin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-piperazin-1-ylpentan-2-one
PubChem CID68969032
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-piperazin-1-ylpentan-2-one
SMILESCCC(C(C)=O)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-3-9(8(2)12)11-6-4-10-5-7-11/h9-10H,3-7H2,1-2H3
InChIKeyARXFSUGKPCTXKU-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 82136425
2-piperazin-1-ylbutanimidamide
CID 54261988
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
CID 82136391
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
1-(1-fluoropropyl)piperazine
CID 91569783
1-(1-bromopropyl)piperazine
CID 135292234
2-[7-(1-carboxy-3-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-hydroxybutanoic acid;gadolinium
CID 175945589
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpentan-2-one?
The IUPAC name of 3-piperazin-1-ylpentan-2-one (CID 68969032) is 3-piperazin-1-ylpentan-2-one.
What is the SMILES notation for 3-piperazin-1-ylpentan-2-one?
The canonical SMILES for 3-piperazin-1-ylpentan-2-one is CCC(C(C)=O)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpentan-2-one?
The InChIKey is ARXFSUGKPCTXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(8(2)12)11-6-4-10-5-7-11/h9-10H,3-7H2,1-2H3.
What are the key properties of 3-piperazin-1-ylpentan-2-one?
3-piperazin-1-ylpentan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpentan-2-one is sourced from PubChem (CID 68969032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).