5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C16H24N4O3 — CID 91769872

IUPAC5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-12-17-10-13(14(21)18-12)15(22)20-8-4-16(23,5-9-20)11-19-6-2-3-7-19/h10,23H,2-9,11H2,1H3,(H,17,18,21)
InChIKeyZPTMVUMSNKMPEC-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.14
Rot. Bonds3

About 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 91769872) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID91769872
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-12-17-10-13(14(21)18-12)15(22)20-8-4-16(23,5-9-20)11-19-6-2-3-7-19/h10,23H,2-9,11H2,1H3,(H,17,18,21)
InChIKeyZPTMVUMSNKMPEC-UHFFFAOYSA-N
XLogP0.14
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 91769872) is 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC(O)(CN3CCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZPTMVUMSNKMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-17-10-13(14(21)18-12)15(22)20-8-4-16(23,5-9-20)11-19-6-2-3-7-19/h10,23H,2-9,11H2,1H3,(H,17,18,21).
What are the key properties of 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 320.39 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 91769872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).