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

C14H21N3O5 — CID 72874311

IUPAC6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H21N3O5/c1-22-6-4-14(9-18)3-2-5-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21)
InChIKeyIXOVBPJPFJFWIS-UHFFFAOYSA-N
MW311.34 g/mol
LogP-0.69
Rot. Bonds5

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

6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72874311) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72874311
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCOCCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H21N3O5/c1-22-6-4-14(9-18)3-2-5-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21)
InChIKeyIXOVBPJPFJFWIS-UHFFFAOYSA-N
XLogP-0.69
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72874311) is 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is COCCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IXOVBPJPFJFWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-22-6-4-14(9-18)3-2-5-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h7,18H,2-6,8-9H2,1H3,(H2,15,16,19,21).
What are the key properties of 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72874311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).