ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate

C19H25N3O2 — CID 56861647

IUPACethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-24-19(23)18-20-10-13-22(18)15-17-8-11-21(12-9-17)14-16-6-4-3-5-7-16/h3-7,10,13,17H,2,8-9,11-12,14-15H2,1H3
InChIKeyJAKTZGAXKJGOHE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.97
Rot. Bonds6

About ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate

ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate (PubChem CID 56861647) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
PubChem CID56861647
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-24-19(23)18-20-10-13-22(18)15-17-8-11-21(12-9-17)14-16-6-4-3-5-7-16/h3-7,10,13,17H,2,8-9,11-12,14-15H2,1H3
InChIKeyJAKTZGAXKJGOHE-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone
CID 19377702
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 90494491
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
CID 166619240
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 70754540
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate (CID 56861647) is ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate?
The InChIKey is JAKTZGAXKJGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-24-19(23)18-20-10-13-22(18)15-17-8-11-21(12-9-17)14-16-6-4-3-5-7-16/h3-7,10,13,17H,2,8-9,11-12,14-15H2,1H3.
What are the key properties of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate?
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate is sourced from PubChem (CID 56861647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).