6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C15H23N3O4 — CID 70722198

IUPAC6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CC(O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C15H23N3O4/c1-9(2)7-12(19)10-3-5-18(6-4-10)14(21)11-8-13(20)17-15(22)16-11/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17,20,22)
InChIKeyRQEJMJMZAFMGTB-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.32
Rot. Bonds4

About 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70722198) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70722198
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CC(O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C15H23N3O4/c1-9(2)7-12(19)10-3-5-18(6-4-10)14(21)11-8-13(20)17-15(22)16-11/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17,20,22)
InChIKeyRQEJMJMZAFMGTB-UHFFFAOYSA-N
XLogP0.32
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 70722198) is 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC(C)CC(O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RQEJMJMZAFMGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-9(2)7-12(19)10-3-5-18(6-4-10)14(21)11-8-13(20)17-15(22)16-11/h8-10,12,19H,3-7H2,1-2H3,(H2,16,17,20,22).
What are the key properties of 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxy-3-methylbutyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70722198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).