methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate

C16H19N3O5S — CID 42590004

IUPACmethyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)CC1
InChIInChI=1S/C16H19N3O5S/c1-17-12(20)10-8-11(25-14(10)18(2)16(17)23)13(21)19-6-4-9(5-7-19)15(22)24-3/h8-9H,4-7H2,1-3H3
InChIKeySMHXPVRUYVVFHI-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.32
Rot. Bonds2

About methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate

methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 42590004) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID42590004
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Namemethyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)CC1
InChIInChI=1S/C16H19N3O5S/c1-17-12(20)10-8-11(25-14(10)18(2)16(17)23)13(21)19-6-4-9(5-7-19)15(22)24-3/h8-9H,4-7H2,1-3H3
InChIKeySMHXPVRUYVVFHI-UHFFFAOYSA-N
XLogP0.32
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 42590004) is methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)CC1.
What is the InChIKey of methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is SMHXPVRUYVVFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-17-12(20)10-8-11(25-14(10)18(2)16(17)23)13(21)19-6-4-9(5-7-19)15(22)24-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 42590004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).