1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one

C13H25N3O — CID 39255742

IUPAC1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c17-13(16-11-6-14-7-12-16)5-4-10-15-8-2-1-3-9-15/h14H,1-12H2
InChIKeyPKQBXJJTQOBKTH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one

1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one (PubChem CID 39255742) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
PubChem CID39255742
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c17-13(16-11-6-14-7-12-16)5-4-10-15-8-2-1-3-9-15/h14H,1-12H2
InChIKeyPKQBXJJTQOBKTH-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19981244
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
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1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
1-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72930128
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775815

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one (CID 39255742) is 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one is O=C(CCCN1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one?
The InChIKey is PKQBXJJTQOBKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13(16-11-6-14-7-12-16)5-4-10-15-8-2-1-3-9-15/h14H,1-12H2.
What are the key properties of 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one?
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 39255742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).