[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C15H24N4O — CID 122081545

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C15H24N4O/c1-2-14-17-8-10-19(14)12-5-4-9-18(11-12)15(20)13-6-3-7-16-13/h8,10,12-13,16H,2-7,9,11H2,1H3/t12?,13-/m0/s1
InChIKeyGAEABFRWCCXXQC-ABLWVSNPSA-N
MW276.38 g/mol
LogP1.36
Rot. Bonds3

About [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 122081545) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID122081545
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C15H24N4O/c1-2-14-17-8-10-19(14)12-5-4-9-18(11-12)15(20)13-6-3-7-16-13/h8,10,12-13,16H,2-7,9,11H2,1H3/t12?,13-/m0/s1
InChIKeyGAEABFRWCCXXQC-ABLWVSNPSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 122081545) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is CCc1nccn1C1CCCN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GAEABFRWCCXXQC-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-14-17-8-10-19(14)12-5-4-9-18(11-12)15(20)13-6-3-7-16-13/h8,10,12-13,16H,2-7,9,11H2,1H3/t12?,13-/m0/s1.
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 122081545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).