1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone

C23H31N3O2 — CID 72894557

IUPAC1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-28-21-10-8-18(9-11-21)15-22(27)25-13-4-7-20(17-25)23-24-12-14-26(23)16-19-5-3-6-19/h8-12,14,19-20H,2-7,13,15-17H2,1H3
InChIKeyCZXFAEZXEUUSPE-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.03
Rot. Bonds7

About 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone

1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone (PubChem CID 72894557) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
PubChem CID72894557
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-2-28-21-10-8-18(9-11-21)15-22(27)25-13-4-7-20(17-25)23-24-12-14-26(23)16-19-5-3-6-19/h8-12,14,19-20H,2-7,13,15-17H2,1H3
InChIKeyCZXFAEZXEUUSPE-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone with MolForge

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Related Compounds

1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
2-(4-ethoxyphenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62355915
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 96575625
2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97286189
2-(4-ethoxyphenyl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 94021780
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 72933365
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone (CID 72894557) is 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCCC(c3nccn3CC3CCC3)C2)cc1.
What is the InChIKey of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
The InChIKey is CZXFAEZXEUUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-28-21-10-8-18(9-11-21)15-22(27)25-13-4-7-20(17-25)23-24-12-14-26(23)16-19-5-3-6-19/h8-12,14,19-20H,2-7,13,15-17H2,1H3.
What are the key properties of 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone?
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone has a molecular weight of 381.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 72894557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).