[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H27N5O2 — CID 53165834

IUPAC[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-18(23-5-1-2-6-23)15-3-7-21(8-4-15)16-13-19-14-20-17(16)22-9-11-25-12-10-22/h13-15H,1-12H2
InChIKeyYMMLHAIITLBPPN-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.15
Rot. Bonds3

About [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53165834) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53165834
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-18(23-5-1-2-6-23)15-3-7-21(8-4-15)16-13-19-14-20-17(16)22-9-11-25-12-10-22/h13-15H,1-12H2
InChIKeyYMMLHAIITLBPPN-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53165834) is [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCCC1.
What is the InChIKey of [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YMMLHAIITLBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(23-5-1-2-6-23)15-3-7-21(8-4-15)16-13-19-14-20-17(16)22-9-11-25-12-10-22/h13-15H,1-12H2.
What are the key properties of [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53165834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).