piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

C13H24N4O — CID 156836676

IUPACpiperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESCC(C)N1C2CC1CN(C(=O)N1CCNCC1)C2
InChIInChI=1S/C13H24N4O/c1-10(2)17-11-7-12(17)9-16(8-11)13(18)15-5-3-14-4-6-15/h10-12,14H,3-9H2,1-2H3
InChIKeyBZPQIHJAGGPBNB-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.18
Rot. Bonds1

About piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (PubChem CID 156836676) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
PubChem CID156836676
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Namepiperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESCC(C)N1C2CC1CN(C(=O)N1CCNCC1)C2
InChIInChI=1S/C13H24N4O/c1-10(2)17-11-7-12(17)9-16(8-11)13(18)15-5-3-14-4-6-15/h10-12,14H,3-9H2,1-2H3
InChIKeyBZPQIHJAGGPBNB-UHFFFAOYSA-N
XLogP0.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
CID 155418933
S-[1-(4-acetylpiperazine-1-carbonyl)azetidin-3-yl] ethanethioate;1-piperazin-1-ylethanone
CID 160844341
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
[(3R)-3-aminopiperidin-1-yl]-piperazin-1-ylmethanone
CID 124908113
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The IUPAC name of piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (CID 156836676) is piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The canonical SMILES for piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is CC(C)N1C2CC1CN(C(=O)N1CCNCC1)C2.
What is the InChIKey of piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The InChIKey is BZPQIHJAGGPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-11-7-12(17)9-16(8-11)13(18)15-5-3-14-4-6-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is sourced from PubChem (CID 156836676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).