ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C14H19N3O3 — CID 31339702

IUPACethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-6-11(7-10-17)16-13(18)12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,18)
InChIKeyCRDDWBJELBMEBY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds3

About ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 31339702) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID31339702
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-6-11(7-10-17)16-13(18)12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,18)
InChIKeyCRDDWBJELBMEBY-UHFFFAOYSA-N
XLogP1.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 31339702) is ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is CRDDWBJELBMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-14(19)17-9-6-11(7-10-17)16-13(18)12-5-3-4-8-15-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 31339702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).