benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate

C26H31N5O4 — CID 69331448

IUPACbenzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)C(Cc1ccc(N)nc1)c1cnc(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]1
InChIInChI=1S/C26H31N5O4/c1-2-34-25(32)21(14-19-8-9-23(27)28-15-19)22-16-29-24(30-22)20-10-12-31(13-11-20)26(33)35-17-18-6-4-3-5-7-18/h3-9,15-16,20-21H,2,10-14,17H2,1H3,(H2,27,28)(H,29,30)
InChIKeySDLNWWVTRGEKOQ-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.79
Rot. Bonds8

About benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate

benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 69331448) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
PubChem CID69331448
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Namebenzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)C(Cc1ccc(N)nc1)c1cnc(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]1
InChIInChI=1S/C26H31N5O4/c1-2-34-25(32)21(14-19-8-9-23(27)28-15-19)22-16-29-24(30-22)20-10-12-31(13-11-20)26(33)35-17-18-6-4-3-5-7-18/h3-9,15-16,20-21H,2,10-14,17H2,1H3,(H2,27,28)(H,29,30)
InChIKeySDLNWWVTRGEKOQ-UHFFFAOYSA-N
XLogP3.79
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 67438602
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benzyl 4,5-dihydroxyazepane-1-carboxylate
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benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
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benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidine-1-carboxylate
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benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
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benzyl 4-[3-(1-hydroxyethyl)-5-methylpyridazin-4-yl]piperidine-1-carboxylate
CID 178181433
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
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CID 70855943
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
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benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate (CID 69331448) is benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate is CCOC(=O)C(Cc1ccc(N)nc1)c1cnc(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]1.
What is the InChIKey of benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is SDLNWWVTRGEKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-2-34-25(32)21(14-19-8-9-23(27)28-15-19)22-16-29-24(30-22)20-10-12-31(13-11-20)26(33)35-17-18-6-4-3-5-7-18/h3-9,15-16,20-21H,2,10-14,17H2,1H3,(H2,27,28)(H,29,30).
What are the key properties of benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 477.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-[3-(6-amino-3-pyridinyl)-1-ethoxy-1-oxopropan-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69331448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).