[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone

C17H24N4O3 — CID 110246426

IUPAC[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCOC(C(=O)N3CCCCC3)C2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-14(10-18-13(2)19-12)16(22)21-8-9-24-15(11-21)17(23)20-6-4-3-5-7-20/h10,15H,3-9,11H2,1-2H3
InChIKeyHBELKACALPEOHB-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.95
Rot. Bonds2

About [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone

[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110246426) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
PubChem CID110246426
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCOC(C(=O)N3CCCCC3)C2)c(C)n1
InChIInChI=1S/C17H24N4O3/c1-12-14(10-18-13(2)19-12)16(22)21-8-9-24-15(11-21)17(23)20-6-4-3-5-7-20/h10,15H,3-9,11H2,1-2H3
InChIKeyHBELKACALPEOHB-UHFFFAOYSA-N
XLogP0.95
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone (CID 110246426) is [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone is Cc1ncc(C(=O)N2CCOC(C(=O)N3CCCCC3)C2)c(C)n1.
What is the InChIKey of [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HBELKACALPEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-14(10-18-13(2)19-12)16(22)21-8-9-24-15(11-21)17(23)20-6-4-3-5-7-20/h10,15H,3-9,11H2,1-2H3.
What are the key properties of [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone?
[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 332.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110246426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).