1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone

C13H21N3O — CID 66154910

IUPAC1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
SMILESCCn1cncc1CN1CCC(C(C)=O)CC1
InChIInChI=1S/C13H21N3O/c1-3-16-10-14-8-13(16)9-15-6-4-12(5-7-15)11(2)17/h8,10,12H,3-7,9H2,1-2H3
InChIKeyYSVXECZOBRCWPV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds4

About 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone

1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 66154910) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
PubChem CID66154910
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone
SMILESCCn1cncc1CN1CCC(C(C)=O)CC1
InChIInChI=1S/C13H21N3O/c1-3-16-10-14-8-13(16)9-15-6-4-12(5-7-15)11(2)17/h8,10,12H,3-7,9H2,1-2H3
InChIKeyYSVXECZOBRCWPV-UHFFFAOYSA-N
XLogP1.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
CID 102959689
N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66154550
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
1-[(3-ethylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66132706
formic acid;methyl (3S,6R)-6-acetamido-1-[(3-ethylimidazol-4-yl)methyl]azepane-3-carboxylate
CID 172911669
1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethanone
CID 63845978
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]piperidine-4-carboxylic acid
CID 77085342
2-[1-[(3-ethylimidazol-4-yl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659372
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone (CID 66154910) is 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone is CCn1cncc1CN1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone?
The InChIKey is YSVXECZOBRCWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16-10-14-8-13(16)9-15-6-4-12(5-7-15)11(2)17/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone?
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 66154910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).