2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

C20H27N3O — CID 72920585

IUPAC2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCCC(c3nccn3C(C)C)C2)c1
InChIInChI=1S/C20H27N3O/c1-15(2)23-11-9-21-20(23)18-8-5-10-22(14-18)19(24)13-17-7-4-6-16(3)12-17/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3
InChIKeyDJOLBKOUNAKJAS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.72
Rot. Bonds4

About 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone

2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 72920585) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID72920585
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCCC(c3nccn3C(C)C)C2)c1
InChIInChI=1S/C20H27N3O/c1-15(2)23-11-9-21-20(23)18-8-5-10-22(14-18)19(24)13-17-7-4-6-16(3)12-17/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3
InChIKeyDJOLBKOUNAKJAS-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylsulfanylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97273820
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 74245617
3-(2-methylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 97268622
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97199633
4,4,4-trifluoro-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 72908257
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
2-(3-hydroxyphenyl)-1-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97275627
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone (CID 72920585) is 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCCC(c3nccn3C(C)C)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is DJOLBKOUNAKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)23-11-9-21-20(23)18-8-5-10-22(14-18)19(24)13-17-7-4-6-16(3)12-17/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 325.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72920585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).