1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone

C18H23N3O2 — CID 70725342

IUPAC1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
SMILESCCn1ccnc1C1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C18H23N3O2/c1-2-20-10-8-19-18(20)15-6-4-9-21(13-15)17(23)12-14-5-3-7-16(22)11-14/h3,5,7-8,10-11,15,22H,2,4,6,9,12-13H2,1H3
InChIKeyAOTPYYJZSQJAAE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds4

About 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone

1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone (PubChem CID 70725342) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
PubChem CID70725342
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
SMILESCCn1ccnc1C1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C18H23N3O2/c1-2-20-10-8-19-18(20)15-6-4-9-21(13-15)17(23)12-14-5-3-7-16(22)11-14/h3,5,7-8,10-11,15,22H,2,4,6,9,12-13H2,1H3
InChIKeyAOTPYYJZSQJAAE-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97275627
2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72897063
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72920585
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 72933365
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 96575625

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone (CID 70725342) is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone is CCn1ccnc1C1CCCN(C(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The InChIKey is AOTPYYJZSQJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-20-10-8-19-18(20)15-6-4-9-21(13-15)17(23)12-14-5-3-7-16(22)11-14/h3,5,7-8,10-11,15,22H,2,4,6,9,12-13H2,1H3.
What are the key properties of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 70725342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).