4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine

C17H28N4O — CID 28642170

IUPAC4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine
SMILESC1Cc2[nH]nc(CN3CCC(CN4CCOCC4)CC3)c2C1
InChIInChI=1S/C17H28N4O/c1-2-15-16(3-1)18-19-17(15)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h14H,1-13H2,(H,18,19)
InChIKeySKIVYQWIUHIXOW-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.44
Rot. Bonds4

About 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine

4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine (PubChem CID 28642170) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine
PubChem CID28642170
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine
SMILESC1Cc2[nH]nc(CN3CCC(CN4CCOCC4)CC3)c2C1
InChIInChI=1S/C17H28N4O/c1-2-15-16(3-1)18-19-17(15)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h14H,1-13H2,(H,18,19)
InChIKeySKIVYQWIUHIXOW-UHFFFAOYSA-N
XLogP1.44
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine (CID 28642170) is 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine is C1Cc2[nH]nc(CN3CCC(CN4CCOCC4)CC3)c2C1.
What is the InChIKey of 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is SKIVYQWIUHIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-15-16(3-1)18-19-17(15)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h14H,1-13H2,(H,18,19).
What are the key properties of 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine?
4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 304.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 28642170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).