1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

C19H30N4O3 — CID 70709841

IUPAC1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1nc(C2CCN(C(=O)COC(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O3/c1-14(2)26-13-19(24)23-6-4-16(5-7-23)17-12-18(21-15(3)20-17)22-8-10-25-11-9-22/h12,14,16H,4-11,13H2,1-3H3
InChIKeyCQAWKRZZKNSAIA-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 70709841) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID70709841
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1nc(C2CCN(C(=O)COC(C)C)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O3/c1-14(2)26-13-19(24)23-6-4-16(5-7-23)17-12-18(21-15(3)20-17)22-8-10-25-11-9-22/h12,14,16H,4-11,13H2,1-3H3
InChIKeyCQAWKRZZKNSAIA-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 70709841) is 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is Cc1nc(C2CCN(C(=O)COC(C)C)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is CQAWKRZZKNSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)26-13-19(24)23-6-4-16(5-7-23)17-12-18(21-15(3)20-17)22-8-10-25-11-9-22/h12,14,16H,4-11,13H2,1-3H3.
What are the key properties of 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 362.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 70709841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).