[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C19H30N4O2 — CID 97212136

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC(C)c1nccc(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)18-20-8-5-17(21-18)22-9-6-16(7-10-22)19(24)23-11-14(3)25-15(4)12-23/h5,8,13-16H,6-7,9-12H2,1-4H3/t14-,15+
InChIKeySDWJOOCSFZQNQQ-GASCZTMLSA-N
MW346.48 g/mol
LogP2.45
Rot. Bonds3

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 97212136) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID97212136
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCC(C)c1nccc(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-13(2)18-20-8-5-17(21-18)22-9-6-16(7-10-22)19(24)23-11-14(3)25-15(4)12-23/h5,8,13-16H,6-7,9-12H2,1-4H3/t14-,15+
InChIKeySDWJOOCSFZQNQQ-GASCZTMLSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 97212136) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone is CC(C)c1nccc(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is SDWJOOCSFZQNQQ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)18-20-8-5-17(21-18)22-9-6-16(7-10-22)19(24)23-11-14(3)25-15(4)12-23/h5,8,13-16H,6-7,9-12H2,1-4H3/t14-,15+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 97212136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).