1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone

C17H26N4O — CID 175762790

IUPAC1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCC1(n2cccn2)CCN(C(=O)C23CCN(CC2)CC3)CC1
InChIInChI=1S/C17H26N4O/c1-16(21-9-2-8-18-21)3-13-20(14-4-16)15(22)17-5-10-19(11-6-17)12-7-17/h2,8-9H,3-7,10-14H2,1H3
InChIKeySOJZESJVTALKGQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.71
Rot. Bonds2

About 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone

1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 175762790) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID175762790
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCC1(n2cccn2)CCN(C(=O)C23CCN(CC2)CC3)CC1
InChIInChI=1S/C17H26N4O/c1-16(21-9-2-8-18-21)3-13-20(14-4-16)15(22)17-5-10-19(11-6-17)12-7-17/h2,8-9H,3-7,10-14H2,1H3
InChIKeySOJZESJVTALKGQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-(1-methylcyclohexyl)pyrazole
CID 24786542
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
CID 155207556
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-pyrazol-1-ylcyclobutyl)methanone
CID 166313321
azetidin-1-yl-(1-methylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155879258
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
azetidin-1-yl-(1-ethylsulfonyl-4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 155873377
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196
1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
CID 155470315
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 175762790) is 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone is CC1(n2cccn2)CCN(C(=O)C23CCN(CC2)CC3)CC1.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is SOJZESJVTALKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-16(21-9-2-8-18-21)3-13-20(14-4-16)15(22)17-5-10-19(11-6-17)12-7-17/h2,8-9H,3-7,10-14H2,1H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone?
1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 175762790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).