2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one

C19H28N2O5 — CID 72881781

IUPAC2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)o1
InChIInChI=1S/C19H28N2O5/c1-14-10-15(22)11-16(26-14)17(23)21-5-4-19(24,18(2,3)12-21)13-20-6-8-25-9-7-20/h10-11,24H,4-9,12-13H2,1-3H3
InChIKeyIZJALLAKWYVXFH-UHFFFAOYSA-N
MW364.44 g/mol
LogP0.88
Rot. Bonds3

About 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one

2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 72881781) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID72881781
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)o1
InChIInChI=1S/C19H28N2O5/c1-14-10-15(22)11-16(26-14)17(23)21-5-4-19(24,18(2,3)12-21)13-20-6-8-25-9-7-20/h10-11,24H,4-9,12-13H2,1-3H3
InChIKeyIZJALLAKWYVXFH-UHFFFAOYSA-N
XLogP0.88
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one (CID 72881781) is 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)o1.
What is the InChIKey of 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is IZJALLAKWYVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14-10-15(22)11-16(26-14)17(23)21-5-4-19(24,18(2,3)12-21)13-20-6-8-25-9-7-20/h10-11,24H,4-9,12-13H2,1-3H3.
What are the key properties of 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 364.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 72881781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).