methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate

C17H25N3O4 — CID 3241826

IUPACmethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H25N3O4/c1-24-16(22)12-7-9-19(10-8-12)14-11-15(21)20(17(23)18-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,23)
InChIKeyABDCNXRDSSCYKW-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.43
Rot. Bonds3

About methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate

methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (PubChem CID 3241826) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
PubChem CID3241826
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Namemethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H25N3O4/c1-24-16(22)12-7-9-19(10-8-12)14-11-15(21)20(17(23)18-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,23)
InChIKeyABDCNXRDSSCYKW-UHFFFAOYSA-N
XLogP1.43
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (CID 3241826) is methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The InChIKey is ABDCNXRDSSCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-24-16(22)12-7-9-19(10-8-12)14-11-15(21)20(17(23)18-14)13-5-3-2-4-6-13/h11-13H,2-10H2,1H3,(H,18,23).
What are the key properties of methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is sourced from PubChem (CID 3241826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).