ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate

C28H35N5O4 — CID 45243872

IUPACethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc(OCC3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1
InChIInChI=1S/C28H35N5O4/c1-2-36-28(35)31-16-14-30(15-17-31)18-22-8-10-24(11-9-22)37-21-23-6-5-13-33(19-23)27(34)25-20-32-12-4-3-7-26(32)29-25/h3-4,7-12,20,23H,2,5-6,13-19,21H2,1H3
InChIKeyVTSBZJVTOLDQIC-UHFFFAOYSA-N
MW505.62 g/mol
LogP3.54
Rot. Bonds7

About ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate

ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate (PubChem CID 45243872) has the molecular formula C28H35N5O4 and a molecular weight of 505.62 g/mol. Its IUPAC name is ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
PubChem CID45243872
Molecular FormulaC28H35N5O4
Molecular Weight505.62 g/mol
Exact Mass505.27
IUPAC Nameethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc(OCC3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1
InChIInChI=1S/C28H35N5O4/c1-2-36-28(35)31-16-14-30(15-17-31)18-22-8-10-24(11-9-22)37-21-23-6-5-13-33(19-23)27(34)25-20-32-12-4-3-7-26(32)29-25/h3-4,7-12,20,23H,2,5-6,13-19,21H2,1H3
InChIKeyVTSBZJVTOLDQIC-UHFFFAOYSA-N
XLogP3.54
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate (CID 45243872) is ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccc(OCC3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate?
The InChIKey is VTSBZJVTOLDQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4/c1-2-36-28(35)31-16-14-30(15-17-31)18-22-8-10-24(11-9-22)37-21-23-6-5-13-33(19-23)27(34)25-20-32-12-4-3-7-26(32)29-25/h3-4,7-12,20,23H,2,5-6,13-19,21H2,1H3.
What are the key properties of ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate?
ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 505.62 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 45243872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).