9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane

C21H36N4 — CID 56706879

IUPAC9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane
SMILESCc1nccn1CCC1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C21H36N4/c1-18-23-13-17-24(18)14-4-19-5-15-25(16-6-19)20-2-7-21(8-3-20)9-11-22-12-10-21/h13,17,19-20,22H,2-12,14-16H2,1H3
InChIKeyUYIYVBNFFKLHQP-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.61
Rot. Bonds4

About 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane

9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane (PubChem CID 56706879) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane
PubChem CID56706879
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane
SMILESCc1nccn1CCC1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C21H36N4/c1-18-23-13-17-24(18)14-4-19-5-15-25(16-6-19)20-2-7-21(8-3-20)9-11-22-12-10-21/h13,17,19-20,22H,2-12,14-16H2,1H3
InChIKeyUYIYVBNFFKLHQP-UHFFFAOYSA-N
XLogP3.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane?
The IUPAC name of 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane (CID 56706879) is 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane is Cc1nccn1CCC1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane?
The InChIKey is UYIYVBNFFKLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-18-23-13-17-24(18)14-4-19-5-15-25(16-6-19)20-2-7-21(8-3-20)9-11-22-12-10-21/h13,17,19-20,22H,2-12,14-16H2,1H3.
What are the key properties of 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane?
9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane has a molecular weight of 344.55 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 56706879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).