ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C20H31N5O5 — CID 46381299

IUPACethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C20H31N5O5/c1-4-30-20(29)25-11-7-15(8-12-25)21-18(27)14-5-9-24(10-6-14)16-13-17(26)23(3)19(28)22(16)2/h13-15H,4-12H2,1-3H3,(H,21,27)
InChIKeyZWJCNOCWKGERIV-UHFFFAOYSA-N
MW421.50 g/mol
LogP0.04
Rot. Bonds4

About ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 46381299) has the molecular formula C20H31N5O5 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID46381299
Molecular FormulaC20H31N5O5
Molecular Weight421.50 g/mol
Exact Mass421.23
IUPAC Nameethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C20H31N5O5/c1-4-30-20(29)25-11-7-15(8-12-25)21-18(27)14-5-9-24(10-6-14)16-13-17(26)23(3)19(28)22(16)2/h13-15H,4-12H2,1-3H3,(H,21,27)
InChIKeyZWJCNOCWKGERIV-UHFFFAOYSA-N
XLogP0.04
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-(1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxylate
CID 3243367
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381357
N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381250
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381269
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 46381288
N-cyclohexyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381348
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46381363
N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381376
Ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-4-amido]piperidine-1-carboxylate
CID 46381381
Ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-3-amido]piperidine-1-carboxylate
CID 53031192
Ethyl 4-[1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-3-amido]piperidine-1-carboxylate
CID 53031201
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 46381287

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 46381299) is ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is ZWJCNOCWKGERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O5/c1-4-30-20(29)25-11-7-15(8-12-25)21-18(27)14-5-9-24(10-6-14)16-13-17(26)23(3)19(28)22(16)2/h13-15H,4-12H2,1-3H3,(H,21,27).
What are the key properties of ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46381299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).