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

C12H16N4O3 — CID 67534840

IUPACmethyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncnc2)CCNCC1
InChIInChI=1S/C12H16N4O3/c1-19-11(18)12(2-4-13-5-3-12)16-10(17)9-6-14-8-15-7-9/h6-8,13H,2-5H2,1H3,(H,16,17)
InChIKeyQGZHOXGZIMYJFJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.50
Rot. Bonds3

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

methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate (PubChem CID 67534840) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
PubChem CID67534840
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncnc2)CCNCC1
InChIInChI=1S/C12H16N4O3/c1-19-11(18)12(2-4-13-5-3-12)16-10(17)9-6-14-8-15-7-9/h6-8,13H,2-5H2,1H3,(H,16,17)
InChIKeyQGZHOXGZIMYJFJ-UHFFFAOYSA-N
XLogP-0.50
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(pyrimidine-5-carbonylamino)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 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate (CID 67534840) is methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate is COC(=O)C1(NC(=O)c2cncnc2)CCNCC1.
What is the InChIKey of methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
The InChIKey is QGZHOXGZIMYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-11(18)12(2-4-13-5-3-12)16-10(17)9-6-14-8-15-7-9/h6-8,13H,2-5H2,1H3,(H,16,17).
What are the key properties of methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate?
methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyrimidine-5-carbonylamino)piperidine-4-carboxylate is sourced from PubChem (CID 67534840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).