1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

C21H29N3O2 — CID 72933365

IUPAC1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H29N3O2/c1-2-3-11-23-13-10-22-21(23)19-5-4-12-24(15-19)20(26)14-17-6-8-18(16-25)9-7-17/h6-10,13,19,25H,2-5,11-12,14-16H2,1H3
InChIKeyGRTKBRHBPHLBHE-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.12
Rot. Bonds7

About 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 72933365) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID72933365
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H29N3O2/c1-2-3-11-23-13-10-22-21(23)19-5-4-12-24(15-19)20(26)14-17-6-8-18(16-25)9-7-17/h6-10,13,19,25H,2-5,11-12,14-16H2,1H3
InChIKeyGRTKBRHBPHLBHE-UHFFFAOYSA-N
XLogP3.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 72921411
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-chloro-4,5-difluorophenyl)ethanone
CID 97285756
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 97195616
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
5-[2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 72857431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 72933365) is 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is CCCCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is GRTKBRHBPHLBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-3-11-23-13-10-22-21(23)19-5-4-12-24(15-19)20(26)14-17-6-8-18(16-25)9-7-17/h6-10,13,19,25H,2-5,11-12,14-16H2,1H3.
What are the key properties of 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 355.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 72933365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).