[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C26H31N3O2 — CID 90493030

IUPAC[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-20(2)19-31-24-10-6-9-23(17-24)26(30)28-14-11-21(12-15-28)18-29-16-13-27-25(29)22-7-4-3-5-8-22/h3-10,13,16-17,20-21H,11-12,14-15,18-19H2,1-2H3
InChIKeyFUMKMOSJAOSMRE-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.14
Rot. Bonds7

About [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493030) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493030
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-20(2)19-31-24-10-6-9-23(17-24)26(30)28-14-11-21(12-15-28)18-29-16-13-27-25(29)22-7-4-3-5-8-22/h3-10,13,16-17,20-21H,11-12,14-15,18-19H2,1-2H3
InChIKeyFUMKMOSJAOSMRE-UHFFFAOYSA-N
XLogP5.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493470
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493030) is [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)COc1cccc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)c1.
What is the InChIKey of [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FUMKMOSJAOSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-20(2)19-31-24-10-6-9-23(17-24)26(30)28-14-11-21(12-15-28)18-29-16-13-27-25(29)22-7-4-3-5-8-22/h3-10,13,16-17,20-21H,11-12,14-15,18-19H2,1-2H3.
What are the key properties of [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 417.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).