4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine

C24H34N4O — CID 174915811

IUPAC4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine
SMILESc1ccc(-n2cc(N3CCC(CCN4CCOCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C24H34N4O/c1-2-7-22(8-3-1)28-19-23(24(25-28)21-5-4-6-21)27-13-10-20(11-14-27)9-12-26-15-17-29-18-16-26/h1-3,7-8,19-21H,4-6,9-18H2
InChIKeyIVRAZUZYCZYCCN-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.08
Rot. Bonds6

About 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine

4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine (PubChem CID 174915811) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine
PubChem CID174915811
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine
SMILESc1ccc(-n2cc(N3CCC(CCN4CCOCC4)CC3)c(C3CCC3)n2)cc1
InChIInChI=1S/C24H34N4O/c1-2-7-22(8-3-1)28-19-23(24(25-28)21-5-4-6-21)27-13-10-20(11-14-27)9-12-26-15-17-29-18-16-26/h1-3,7-8,19-21H,4-6,9-18H2
InChIKeyIVRAZUZYCZYCCN-UHFFFAOYSA-N
XLogP4.08
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine (CID 174915811) is 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine is c1ccc(-n2cc(N3CCC(CCN4CCOCC4)CC3)c(C3CCC3)n2)cc1.
What is the InChIKey of 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is IVRAZUZYCZYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-7-22(8-3-1)28-19-23(24(25-28)21-5-4-6-21)27-13-10-20(11-14-27)9-12-26-15-17-29-18-16-26/h1-3,7-8,19-21H,4-6,9-18H2.
What are the key properties of 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine?
4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 394.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-cyclobutyl-1-phenylpyrazol-4-yl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 174915811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).