[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C20H27N5O2 — CID 89487706

IUPAC[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESN#Cc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1
InChIInChI=1S/C20H27N5O2/c21-15-16-3-1-6-19(22-16)24-9-7-18(8-10-24)27-20(26)25-13-11-23(12-14-25)17-4-2-5-17/h1,3,6,17-18H,2,4-5,7-14H2
InChIKeyRSXDOTMMFOTWLQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.23
Rot. Bonds3

About [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487706) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487706
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESN#Cc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1
InChIInChI=1S/C20H27N5O2/c21-15-16-3-1-6-19(22-16)24-9-7-18(8-10-24)27-20(26)25-13-11-23(12-14-25)17-4-2-5-17/h1,3,6,17-18H,2,4-5,7-14H2
InChIKeyRSXDOTMMFOTWLQ-UHFFFAOYSA-N
XLogP2.23
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487706) is [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is N#Cc1cccc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1.
What is the InChIKey of [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is RSXDOTMMFOTWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-15-16-3-1-6-19(22-16)24-9-7-18(8-10-24)27-20(26)25-13-11-23(12-14-25)17-4-2-5-17/h1,3,6,17-18H,2,4-5,7-14H2.
What are the key properties of [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).