ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate

C19H29N5O4 — CID 109072152

IUPACethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCNC(=O)c1nc(C(=O)N2CCN(C(=O)OCC)CC2)n2c1CCCC2
InChIInChI=1S/C19H29N5O4/c1-3-8-20-17(25)15-14-7-5-6-9-24(14)16(21-15)18(26)22-10-12-23(13-11-22)19(27)28-4-2/h3-13H2,1-2H3,(H,20,25)
InChIKeyAOKSTSNLDOXNHM-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.27
Rot. Bonds5

About ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 109072152) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID109072152
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Nameethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCCNC(=O)c1nc(C(=O)N2CCN(C(=O)OCC)CC2)n2c1CCCC2
InChIInChI=1S/C19H29N5O4/c1-3-8-20-17(25)15-14-7-5-6-9-24(14)16(21-15)18(26)22-10-12-23(13-11-22)19(27)28-4-2/h3-13H2,1-2H3,(H,20,25)
InChIKeyAOKSTSNLDOXNHM-UHFFFAOYSA-N
XLogP1.27
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate (CID 109072152) is ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate is CCCNC(=O)c1nc(C(=O)N2CCN(C(=O)OCC)CC2)n2c1CCCC2.
What is the InChIKey of ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is AOKSTSNLDOXNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-3-8-20-17(25)15-14-7-5-6-9-24(14)16(21-15)18(26)22-10-12-23(13-11-22)19(27)28-4-2/h3-13H2,1-2H3,(H,20,25).
What are the key properties of ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109072152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).