1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one

C13H25N3O — CID 70596014

IUPAC1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)C1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-12(11-3-5-14-6-4-11)13(17)16-9-7-15-8-10-16/h11-12,14-15H,2-10H2,1H3
InChIKeyDYTHERDVHWWNLS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds3

About 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one

1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one (PubChem CID 70596014) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
PubChem CID70596014
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)C1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-12(11-3-5-14-6-4-11)13(17)16-9-7-15-8-10-16/h11-12,14-15H,2-10H2,1H3
InChIKeyDYTHERDVHWWNLS-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(dimethylamino)-1-piperazin-1-ylethanone
CID 82508389
2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 83709619
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
CID 24702682
1-methyl-3-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82510029
2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
CID 57188850
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one (CID 70596014) is 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one is CCC(C(=O)N1CCNCC1)C1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one?
The InChIKey is DYTHERDVHWWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-12(11-3-5-14-6-4-11)13(17)16-9-7-15-8-10-16/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one?
1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 70596014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).