ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate

C13H17N3O5 — CID 115535610

IUPACethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-14-13(20)15-10(9)17/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)/t8-/m0/s1
InChIKeyKXODMDQVDIIGEK-QMMMGPOBSA-N
MW295.29 g/mol
LogP-0.52
Rot. Bonds3

About ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate (PubChem CID 115535610) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
PubChem CID115535610
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Nameethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-14-13(20)15-10(9)17/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)/t8-/m0/s1
InChIKeyKXODMDQVDIIGEK-QMMMGPOBSA-N
XLogP-0.52
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-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 1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 136832041
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl 1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409726
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate (CID 115535610) is ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is KXODMDQVDIIGEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-14-13(20)15-10(9)17/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)/t8-/m0/s1.
What are the key properties of ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 295.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 115535610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).