ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate

C15H25N3O2 — CID 56763971

IUPACethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Cn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)17-8-5-13(6-9-17)11-18-10-7-16-14(18)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyJIKFODGMZKWHMX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.88
Rot. Bonds4

About ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 56763971) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID56763971
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Cn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(19)17-8-5-13(6-9-17)11-18-10-7-16-14(18)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3
InChIKeyJIKFODGMZKWHMX-UHFFFAOYSA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate (CID 56763971) is ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(Cn2ccnc2C(C)C)CC1.
What is the InChIKey of ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is JIKFODGMZKWHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-15(19)17-8-5-13(6-9-17)11-18-10-7-16-14(18)12(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3.
What are the key properties of ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56763971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).