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

C20H29N5O2 — CID 89488548

IUPAC(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccn4ccnc4c3)CC2)CC1
InChIInChI=1S/C20H29N5O2/c1-16(2)22-11-13-25(14-12-22)20(26)27-18-4-8-23(9-5-18)17-3-7-24-10-6-21-19(24)15-17/h3,6-7,10,15-16,18H,4-5,8-9,11-14H2,1-2H3
InChIKeyXQHNCUHPIQGTEM-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.47
Rot. Bonds3

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

(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89488548) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89488548
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccn4ccnc4c3)CC2)CC1
InChIInChI=1S/C20H29N5O2/c1-16(2)22-11-13-25(14-12-22)20(26)27-18-4-8-23(9-5-18)17-3-7-24-10-6-21-19(24)15-17/h3,6-7,10,15-16,18H,4-5,8-9,11-14H2,1-2H3
InChIKeyXQHNCUHPIQGTEM-UHFFFAOYSA-N
XLogP2.47
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.47
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-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate (CID 89488548) is (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccn4ccnc4c3)CC2)CC1.
What is the InChIKey of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XQHNCUHPIQGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16(2)22-11-13-25(14-12-22)20(26)27-18-4-8-23(9-5-18)17-3-7-24-10-6-21-19(24)15-17/h3,6-7,10,15-16,18H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of (1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate?
(1-imidazo[1,2-a]pyridin-7-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 2.47, 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-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89488548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).