(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C19H30N4O3 — CID 72896635

IUPAC(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)cn1
InChIInChI=1S/C19H30N4O3/c1-4-16-20-11-15(12-21-16)17(24)23-6-5-19(25,18(2,3)13-23)14-22-7-9-26-10-8-22/h11-12,25H,4-10,13-14H2,1-3H3
InChIKeyZVUPGUCOZJRGEM-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.97
Rot. Bonds4

About (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72896635) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID72896635
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)cn1
InChIInChI=1S/C19H30N4O3/c1-4-16-20-11-15(12-21-16)17(24)23-6-5-19(25,18(2,3)13-23)14-22-7-9-26-10-8-22/h11-12,25H,4-10,13-14H2,1-3H3
InChIKeyZVUPGUCOZJRGEM-UHFFFAOYSA-N
XLogP0.97
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 72896635) is (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC(O)(CN3CCOCC3)C(C)(C)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZVUPGUCOZJRGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-16-20-11-15(12-21-16)17(24)23-6-5-19(25,18(2,3)13-23)14-22-7-9-26-10-8-22/h11-12,25H,4-10,13-14H2,1-3H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72896635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).