methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate

C14H18N4O4 — CID 67534115

IUPACmethyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncnc2)CCN(C(C)=O)CC1
InChIInChI=1S/C14H18N4O4/c1-10(19)18-5-3-14(4-6-18,13(21)22-2)17-12(20)11-7-15-9-16-8-11/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyGZPYLEYCJRZVGG-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.24
Rot. Bonds3

About methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate

methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate (PubChem CID 67534115) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
PubChem CID67534115
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Namemethyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncnc2)CCN(C(C)=O)CC1
InChIInChI=1S/C14H18N4O4/c1-10(19)18-5-3-14(4-6-18,13(21)22-2)17-12(20)11-7-15-9-16-8-11/h7-9H,3-6H2,1-2H3,(H,17,20)
InChIKeyGZPYLEYCJRZVGG-UHFFFAOYSA-N
XLogP-0.24
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate (CID 67534115) is methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate is COC(=O)C1(NC(=O)c2cncnc2)CCN(C(C)=O)CC1.
What is the InChIKey of methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The InChIKey is GZPYLEYCJRZVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-10(19)18-5-3-14(4-6-18,13(21)22-2)17-12(20)11-7-15-9-16-8-11/h7-9H,3-6H2,1-2H3,(H,17,20).
What are the key properties of methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate has a molecular weight of 306.32 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate is sourced from PubChem (CID 67534115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).