2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone

C15H29N5O — CID 170084161

IUPAC2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCNCC1)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N5O/c21-15(13-18-7-5-17-6-8-18)20-11-9-19(10-12-20)14-1-3-16-4-2-14/h14,16-17H,1-13H2
InChIKeyHXJQOYOGJZJMEM-UHFFFAOYSA-N
MW295.43 g/mol
LogP-1.21
Rot. Bonds3

About 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone

2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone (PubChem CID 170084161) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
PubChem CID170084161
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCNCC1)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H29N5O/c21-15(13-18-7-5-17-6-8-18)20-11-9-19(10-12-20)14-1-3-16-4-2-14/h14,16-17H,1-13H2
InChIKeyHXJQOYOGJZJMEM-UHFFFAOYSA-N
XLogP-1.21
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
2-[4-[3-oxo-3-(4-piperidin-4-ylpiperazin-1-yl)propyl]piperidin-1-yl]acetic acid;trihydrochloride
CID 139782779
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
2-(1,4-diazepan-1-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167161
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 79937729
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
CID 139720169
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
2-(4-methylpiperidin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 171586521

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone (CID 170084161) is 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone is O=C(CN1CCNCC1)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is HXJQOYOGJZJMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c21-15(13-18-7-5-17-6-8-18)20-11-9-19(10-12-20)14-1-3-16-4-2-14/h14,16-17H,1-13H2.
What are the key properties of 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 295.43 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170084161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).