4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine

C18H28N4O — CID 70754334

IUPAC4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O/c1-14(21-9-11-23-12-10-21)15-5-7-22(8-6-15)18-16-3-2-4-17(16)19-13-20-18/h13-15H,2-12H2,1H3
InChIKeyNGSNAIUJORNJHI-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.90
Rot. Bonds3

About 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine

4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine (PubChem CID 70754334) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
PubChem CID70754334
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O/c1-14(21-9-11-23-12-10-21)15-5-7-22(8-6-15)18-16-3-2-4-17(16)19-13-20-18/h13-15H,2-12H2,1H3
InChIKeyNGSNAIUJORNJHI-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine (CID 70754334) is 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine is CC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCOCC1.
What is the InChIKey of 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is NGSNAIUJORNJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14(21-9-11-23-12-10-21)15-5-7-22(8-6-15)18-16-3-2-4-17(16)19-13-20-18/h13-15H,2-12H2,1H3.
What are the key properties of 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine?
4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 316.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70754334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).