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

C18H27N3O4 — CID 3243367

IUPACethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H27N3O4/c1-2-25-17(23)13-8-10-20(11-9-13)15-12-16(22)21(18(24)19-15)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,24)
InChIKeyDQZYAERRYSISAC-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.82
Rot. Bonds4

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

ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (PubChem CID 3243367) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
PubChem CID3243367
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H27N3O4/c1-2-25-17(23)13-8-10-20(11-9-13)15-12-16(22)21(18(24)19-15)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,24)
InChIKeyDQZYAERRYSISAC-UHFFFAOYSA-N
XLogP1.82
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate
CID 90489822
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(5,6-dichloro-1-cyclobutylbenzimidazol-2-yl)piperidine-4-carboxylate
CID 67034175
methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
CID 5310573
ethyl 1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-4-carboxylate
CID 169329409
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
CID 154109395
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (CID 3243367) is ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The InChIKey is DQZYAERRYSISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-2-25-17(23)13-8-10-20(11-9-13)15-12-16(22)21(18(24)19-15)14-6-4-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,24).
What are the key properties of ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is sourced from PubChem (CID 3243367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).