piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

C14H25N3O — CID 156837063

IUPACpiperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCNCC1
InChIInChI=1S/C14H25N3O/c1-10(2)16-8-12-7-13(9-16)17(12)14(18)11-3-5-15-6-4-11/h10-13,15H,3-9H2,1-2H3
InChIKeySANJIZOUGDWLEH-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.68
Rot. Bonds2

About piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (PubChem CID 156837063) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
PubChem CID156837063
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Namepiperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCC(C)N1CC2CC(C1)N2C(=O)C1CCNCC1
InChIInChI=1S/C14H25N3O/c1-10(2)16-8-12-7-13(9-16)17(12)14(18)11-3-5-15-6-4-11/h10-13,15H,3-9H2,1-2H3
InChIKeySANJIZOUGDWLEH-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528
1-piperidin-4-ylethanone
CID 2723764
ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone
CID 168882568
ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 176934946
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
piperidin-4-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119342685
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
1-cyclohexylpropan-1-one;8-(5-piperidin-4-ylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739992
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The IUPAC name of piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (CID 156837063) is piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.
What is the SMILES notation for piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The canonical SMILES for piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is CC(C)N1CC2CC(C1)N2C(=O)C1CCNCC1.
What is the InChIKey of piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The InChIKey is SANJIZOUGDWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)16-8-12-7-13(9-16)17(12)14(18)11-3-5-15-6-4-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is sourced from PubChem (CID 156837063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).