ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate

C14H23N3O2 — CID 114719023

IUPACethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1C1(C)CCNCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-13(18)4-9-17-11-16-10-12(17)14(2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyHIPOPOYMYOWELN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds5

About ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate

ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate (PubChem CID 114719023) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
PubChem CID114719023
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1C1(C)CCNCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-13(18)4-9-17-11-16-10-12(17)14(2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyHIPOPOYMYOWELN-UHFFFAOYSA-N
XLogP1.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719413
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 114721954
2,2-dimethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CID 106278172
N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
CID 114721912
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
CID 114718584
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718688
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909131
4-methyl-4-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114721609
N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide
CID 114722317

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate (CID 114719023) is ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate is CCOC(=O)CCn1cncc1C1(C)CCNCC1.
What is the InChIKey of ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate?
The InChIKey is HIPOPOYMYOWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-13(18)4-9-17-11-16-10-12(17)14(2)5-7-15-8-6-14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate?
ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate has a molecular weight of 265.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate is sourced from PubChem (CID 114719023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).