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

C20H31N5O5 — CID 93061250

IUPACethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C20H31N5O5/c1-4-30-20(29)24-10-7-15(8-11-24)21-18(27)14-6-5-9-25(13-14)16-12-17(26)23(3)19(28)22(16)2/h12,14-15H,4-11,13H2,1-3H3,(H,21,27)/t14-/m1/s1
InChIKeyXUZRZEDAKPLCAK-CQSZACIVSA-N
MW421.50 g/mol
LogP0.04
Rot. Bonds4

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

ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 93061250) has the molecular formula C20H31N5O5 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID93061250
Molecular FormulaC20H31N5O5
Molecular Weight421.50 g/mol
Exact Mass421.23
IUPAC Nameethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C20H31N5O5/c1-4-30-20(29)24-10-7-15(8-11-24)21-18(27)14-6-5-9-25(13-14)16-12-17(26)23(3)19(28)22(16)2/h12,14-15H,4-11,13H2,1-3H3,(H,21,27)/t14-/m1/s1
InChIKeyXUZRZEDAKPLCAK-CQSZACIVSA-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-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
1,3-dimethyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070846
(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 5309298
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-[[(3S)-1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 92866970
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 93061250) is ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1.
What is the InChIKey of ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XUZRZEDAKPLCAK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H31N5O5/c1-4-30-20(29)24-10-7-15(8-11-24)21-18(27)14-6-5-9-25(13-14)16-12-17(26)23(3)19(28)22(16)2/h12,14-15H,4-11,13H2,1-3H3,(H,21,27)/t14-/m1/s1.
What are the key properties of ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-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-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 93061250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).