5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C17H19N3O4 — CID 70726411

IUPAC5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1OC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H19N3O4/c1-11-4-2-3-5-14(11)24-12-6-8-20(9-7-12)16(22)13-10-18-17(23)19-15(13)21/h2-5,10,12H,6-9H2,1H3,(H2,18,19,21,23)
InChIKeyLLPUDCXQERTSEB-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.06
Rot. Bonds3

About 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 70726411) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID70726411
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1OC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C17H19N3O4/c1-11-4-2-3-5-14(11)24-12-6-8-20(9-7-12)16(22)13-10-18-17(23)19-15(13)21/h2-5,10,12H,6-9H2,1H3,(H2,18,19,21,23)
InChIKeyLLPUDCXQERTSEB-UHFFFAOYSA-N
XLogP1.06
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 70726411) is 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is Cc1ccccc1OC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LLPUDCXQERTSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-4-2-3-5-14(11)24-12-6-8-20(9-7-12)16(22)13-10-18-17(23)19-15(13)21/h2-5,10,12H,6-9H2,1H3,(H2,18,19,21,23).
What are the key properties of 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylphenoxy)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).