methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate

C17H24N4O5 — CID 136627229

IUPACmethyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H24N4O5/c1-25-17(24)11-2-5-21(6-3-11)9-15(22)18-8-14-19-13-4-7-26-10-12(13)16(23)20-14/h11H,2-10H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyYDOFIRHXUIINBP-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.66
Rot. Bonds5

About methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate (PubChem CID 136627229) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate
PubChem CID136627229
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Namemethyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C17H24N4O5/c1-25-17(24)11-2-5-21(6-3-11)9-15(22)18-8-14-19-13-4-7-26-10-12(13)16(23)20-14/h11H,2-10H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyYDOFIRHXUIINBP-UHFFFAOYSA-N
XLogP-0.66
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

CID 136627188
CID 136627188
CID 136627189
CID 136627189
CID 136627228
CID 136627228
CID 137147831
CID 137147831
CID 144512998
CID 144512998
CID 157895464
CID 157895464
CID 161179487
CID 161179487

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate (CID 136627229) is methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NCc2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate?
The InChIKey is YDOFIRHXUIINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-25-17(24)11-2-5-21(6-3-11)9-15(22)18-8-14-19-13-4-7-26-10-12(13)16(23)20-14/h11H,2-10H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylamino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 136627229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).