ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

C13H18N4O5 — CID 110853949

IUPACethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)15-10(18)9-7-14-12(20)16-11(9)19/h7-8H,2-6H2,1H3,(H,15,18)(H2,14,16,19,20)
InChIKeyGHCMTRDTOSCNIH-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.59
Rot. Bonds3

About ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110853949) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110853949
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Nameethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)15-10(18)9-7-14-12(20)16-11(9)19/h7-8H,2-6H2,1H3,(H,15,18)(H2,14,16,19,20)
InChIKeyGHCMTRDTOSCNIH-UHFFFAOYSA-N
XLogP-0.59
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate (CID 110853949) is ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is GHCMTRDTOSCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-2-22-13(21)17-5-3-8(4-6-17)15-10(18)9-7-14-12(20)16-11(9)19/h7-8H,2-6H2,1H3,(H,15,18)(H2,14,16,19,20).
What are the key properties of ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 310.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110853949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).