(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone

C17H27N3O2 — CID 70740541

IUPAC(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1
InChIInChI=1S/C17H27N3O2/c1-4-16-18-10-14(11-19-16)17(22)20-7-5-13(6-8-20)15(21)9-12(2)3/h10-13,15,21H,4-9H2,1-3H3
InChIKeyCKRHIHSDEIAPPO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.30
Rot. Bonds5

About (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone (PubChem CID 70740541) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
PubChem CID70740541
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1
InChIInChI=1S/C17H27N3O2/c1-4-16-18-10-14(11-19-16)17(22)20-7-5-13(6-8-20)15(21)9-12(2)3/h10-13,15,21H,4-9H2,1-3H3
InChIKeyCKRHIHSDEIAPPO-UHFFFAOYSA-N
XLogP2.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone (CID 70740541) is (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC(C(O)CC(C)C)CC2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
The InChIKey is CKRHIHSDEIAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-16-18-10-14(11-19-16)17(22)20-7-5-13(6-8-20)15(21)9-12(2)3/h10-13,15,21H,4-9H2,1-3H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).