(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

C21H29N5O2 — CID 89487702

IUPAC(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccn3ccnc3c2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(26-14-12-24(13-15-26)17-2-1-3-17)28-19-5-9-23(10-6-19)18-4-8-25-11-7-22-20(25)16-18/h4,7-8,11,16-17,19H,1-3,5-6,9-10,12-15H2
InChIKeyOMZYNNHBHJMMMY-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.61
Rot. Bonds3

About (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate

(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487702) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487702
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccn3ccnc3c2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(26-14-12-24(13-15-26)17-2-1-3-17)28-19-5-9-23(10-6-19)18-4-8-25-11-7-22-20(25)16-18/h4,7-8,11,16-17,19H,1-3,5-6,9-10,12-15H2
InChIKeyOMZYNNHBHJMMMY-UHFFFAOYSA-N
XLogP2.61
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate (CID 89487702) is (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is O=C(OC1CCN(c2ccn3ccnc3c2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is OMZYNNHBHJMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(26-14-12-24(13-15-26)17-2-1-3-17)28-19-5-9-23(10-6-19)18-4-8-25-11-7-22-20(25)16-18/h4,7-8,11,16-17,19H,1-3,5-6,9-10,12-15H2.
What are the key properties of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate?
(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 383.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).