(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone

C15H22N4O2 — CID 80702244

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCN2c2ncccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-15(21)5-10-18(11-6-15)13(20)12-4-2-9-19(12)14-16-7-3-8-17-14/h3,7-8,12,21H,2,4-6,9-11H2,1H3
InChIKeyIMRUUWKTSVFEIG-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.82
Rot. Bonds2

About (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone (PubChem CID 80702244) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
PubChem CID80702244
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCN2c2ncccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-15(21)5-10-18(11-6-15)13(20)12-4-2-9-19(12)14-16-7-3-8-17-14/h3,7-8,12,21H,2,4-6,9-11H2,1H3
InChIKeyIMRUUWKTSVFEIG-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone (CID 80702244) is (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone is CC1(O)CCN(C(=O)C2CCCN2c2ncccn2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone?
The InChIKey is IMRUUWKTSVFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(21)5-10-18(11-6-15)13(20)12-4-2-9-19(12)14-16-7-3-8-17-14/h3,7-8,12,21H,2,4-6,9-11H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 80702244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).