[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate

C22H27N5O3 — CID 71523626

IUPAC[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate
SMILESO=C(NOC(=O)c1cc(N2CCCCC2)ccn1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C22H27N5O3/c28-21(19-15-17(7-9-23-19)26-11-3-1-4-12-26)25-30-22(29)20-16-18(8-10-24-20)27-13-5-2-6-14-27/h7-10,15-16H,1-6,11-14H2,(H,25,28)
InChIKeyGJVOPAUYKUGXGL-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.96
Rot. Bonds4

About [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate

[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate (PubChem CID 71523626) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Name[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate
PubChem CID71523626
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate
SMILESO=C(NOC(=O)c1cc(N2CCCCC2)ccn1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C22H27N5O3/c28-21(19-15-17(7-9-23-19)26-11-3-1-4-12-26)25-30-22(29)20-16-18(8-10-24-20)27-13-5-2-6-14-27/h7-10,15-16H,1-6,11-14H2,(H,25,28)
InChIKeyGJVOPAUYKUGXGL-UHFFFAOYSA-N
XLogP2.96
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate?
The IUPAC name of [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate (CID 71523626) is [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate is O=C(NOC(=O)c1cc(N2CCCCC2)ccn1)c1cc(N2CCCCC2)ccn1.
What is the InChIKey of [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate?
The InChIKey is GJVOPAUYKUGXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c28-21(19-15-17(7-9-23-19)26-11-3-1-4-12-26)25-30-22(29)20-16-18(8-10-24-20)27-13-5-2-6-14-27/h7-10,15-16H,1-6,11-14H2,(H,25,28).
What are the key properties of [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate?
[(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-piperidin-1-ylpyridine-2-carbonyl)amino] 4-piperidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 71523626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).