ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate

C19H23N3O3 — CID 43923306

IUPACethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)17-7-10-22(11-8-17)18(23)16-5-3-15(4-6-16)13-21-12-9-20-14-21/h3-6,9,12,14,17H,2,7-8,10-11,13H2,1H3
InChIKeyRTCJNKVHLOPRPF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.35
Rot. Bonds5

About ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 43923306) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
PubChem CID43923306
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-25-19(24)17-7-10-22(11-8-17)18(23)16-5-3-15(4-6-16)13-21-12-9-20-14-21/h3-6,9,12,14,17H,2,7-8,10-11,13H2,1H3
InChIKeyRTCJNKVHLOPRPF-UHFFFAOYSA-N
XLogP2.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111154936
ethyl 1-[N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156284
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121154036
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
4-[1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628749
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 3470686

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate (CID 43923306) is ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is RTCJNKVHLOPRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-19(24)17-7-10-22(11-8-17)18(23)16-5-3-15(4-6-16)13-21-12-9-20-14-21/h3-6,9,12,14,17H,2,7-8,10-11,13H2,1H3.
What are the key properties of ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 43923306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).