1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone

C17H25N3O — CID 155207556

IUPAC1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
SMILESCCc1cnn(C2(C)CCN(C(=O)C34CC(C3)C4)CC2)c1
InChIInChI=1S/C17H25N3O/c1-3-13-11-18-20(12-13)16(2)4-6-19(7-5-16)15(21)17-8-14(9-17)10-17/h11-12,14H,3-10H2,1-2H3
InChIKeyKUAZXVBWEZNQNU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.58
Rot. Bonds3

About 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone

1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone (PubChem CID 155207556) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
PubChem CID155207556
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone
SMILESCCc1cnn(C2(C)CCN(C(=O)C34CC(C3)C4)CC2)c1
InChIInChI=1S/C17H25N3O/c1-3-13-11-18-20(12-13)16(2)4-6-19(7-5-16)15(21)17-8-14(9-17)10-17/h11-12,14H,3-10H2,1-2H3
InChIKeyKUAZXVBWEZNQNU-UHFFFAOYSA-N
XLogP2.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 155710669
1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
CID 155470315
3-fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
1-azabicyclo[2.2.2]octan-4-yl-(4-methyl-4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 175762790
(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98331377
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365770
4-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 86970486
4-methyl-4-(4-propylpyrazol-1-yl)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 155207501
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509932
4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
CID 51074621
4-ethylpyrazole-1-carboxylic acid
CID 21320246

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone (CID 155207556) is 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone is CCc1cnn(C2(C)CCN(C(=O)C34CC(C3)C4)CC2)c1.
What is the InChIKey of 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone?
The InChIKey is KUAZXVBWEZNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-13-11-18-20(12-13)16(2)4-6-19(7-5-16)15(21)17-8-14(9-17)10-17/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone?
1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanyl-[4-(4-ethylpyrazol-1-yl)-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 155207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).