[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone

C14H19ClN4O2 — CID 97055534

IUPAC[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCCN1c1ncc(Cl)cn1)N1CCOCC1
InChIInChI=1S/C14H19ClN4O2/c15-11-9-16-14(17-10-11)19-4-2-1-3-12(19)13(20)18-5-7-21-8-6-18/h9-10,12H,1-8H2/t12-/m1/s1
InChIKeyCINLPRYMHFPBCI-GFCCVEGCSA-N
MW310.79 g/mol
LogP1.35
Rot. Bonds2

About [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 97055534) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID97055534
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCCN1c1ncc(Cl)cn1)N1CCOCC1
InChIInChI=1S/C14H19ClN4O2/c15-11-9-16-14(17-10-11)19-4-2-1-3-12(19)13(20)18-5-7-21-8-6-18/h9-10,12H,1-8H2/t12-/m1/s1
InChIKeyCINLPRYMHFPBCI-GFCCVEGCSA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone (CID 97055534) is [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone is O=C([C@H]1CCCCN1c1ncc(Cl)cn1)N1CCOCC1.
What is the InChIKey of [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CINLPRYMHFPBCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-9-16-14(17-10-11)19-4-2-1-3-12(19)13(20)18-5-7-21-8-6-18/h9-10,12H,1-8H2/t12-/m1/s1.
What are the key properties of [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 310.79 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97055534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).