ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

C15H22N4O5 — CID 84555564

IUPACethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H22N4O5/c1-4-24-15(23)19-7-5-10(6-8-19)16-12(20)11-9-17(2)14(22)18(3)13(11)21/h9-10H,4-8H2,1-3H3,(H,16,20)
InChIKeyQOIOXGIQOJDXGB-UHFFFAOYSA-N
MW338.36 g/mol
LogP-0.57
Rot. Bonds3

About ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 84555564) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID84555564
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H22N4O5/c1-4-24-15(23)19-7-5-10(6-8-19)16-12(20)11-9-17(2)14(22)18(3)13(11)21/h9-10H,4-8H2,1-3H3,(H,16,20)
InChIKeyQOIOXGIQOJDXGB-UHFFFAOYSA-N
XLogP-0.57
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (3-allyl-1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 367416
ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate
CID 361686
3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate
CID 361873
Ethyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 364812
butyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 364813
Methyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 367236
Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 367237
3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,6-dioxo-pyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate
CID 367725
Ethyl 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]piperazine-1-carboxylate
CID 76312213
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 95219842
5-[(3-propylmorpholin-4-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56711352
1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrimido[1,2-a]pyrimidine-3-carboxamide
CID 20201644

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (CID 84555564) is ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is QOIOXGIQOJDXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-4-24-15(23)19-7-5-10(6-8-19)16-12(20)11-9-17(2)14(22)18(3)13(11)21/h9-10H,4-8H2,1-3H3,(H,16,20).
What are the key properties of ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 84555564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).