1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde

C16H23N3O2 — CID 155470315

IUPAC1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
SMILESCC1(C(=O)N2CCC(C)(n3cc(C=O)cn3)CC2)CCC1
InChIInChI=1S/C16H23N3O2/c1-15(4-3-5-15)14(21)18-8-6-16(2,7-9-18)19-11-13(12-20)10-17-19/h10-12H,3-9H2,1-2H3
InChIKeyXFAUPUXFLSZWCS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds3

About 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde

1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde (PubChem CID 155470315) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
PubChem CID155470315
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde
SMILESCC1(C(=O)N2CCC(C)(n3cc(C=O)cn3)CC2)CCC1
InChIInChI=1S/C16H23N3O2/c1-15(4-3-5-15)14(21)18-8-6-16(2,7-9-18)19-11-13(12-20)10-17-19/h10-12H,3-9H2,1-2H3
InChIKeyXFAUPUXFLSZWCS-UHFFFAOYSA-N
XLogP2.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde (CID 155470315) is 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde is CC1(C(=O)N2CCC(C)(n3cc(C=O)cn3)CC2)CCC1.
What is the InChIKey of 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?
The InChIKey is XFAUPUXFLSZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(4-3-5-15)14(21)18-8-6-16(2,7-9-18)19-11-13(12-20)10-17-19/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde?
1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde has a molecular weight of 289.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 155470315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).