6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione

C22H29N3O2 — CID 3239085

IUPAC6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21-16-20(23-22(27)25(21)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18-19H,2,5-6,9-15H2,(H,23,27)
InChIKeyKQGLOYUMFACIJS-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.50
Rot. Bonds4

About 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione

6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione (PubChem CID 3239085) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione
PubChem CID3239085
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21-16-20(23-22(27)25(21)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18-19H,2,5-6,9-15H2,(H,23,27)
InChIKeyKQGLOYUMFACIJS-UHFFFAOYSA-N
XLogP3.50
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione (CID 3239085) is 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione is O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione?
The InChIKey is KQGLOYUMFACIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21-16-20(23-22(27)25(21)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18-19H,2,5-6,9-15H2,(H,23,27).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione?
6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione has a molecular weight of 367.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-3-cyclohexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3239085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).