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

C21H31N5O2 — CID 89487751

IUPAC[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1
InChIInChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
InChIKeyXAQBWJISZRMNHF-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.77
Rot. Bonds3

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

[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487751) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487751
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1
InChIInChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
InChIKeyXAQBWJISZRMNHF-UHFFFAOYSA-N
XLogP2.77
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487751) is [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is Cc1cn2ccc(N3CCC(OC(=O)N4CCN(C(C)C)CC4)CC3)cc2n1.
What is the InChIKey of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is XAQBWJISZRMNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3.
What are the key properties of [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylimidazo[1,2-a]pyridin-7-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).