[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

C25H29N3O2 — CID 46972019

IUPAC[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1
InChIInChI=1S/C25H29N3O2/c1-19-8-3-6-12-24(19)30-18-21-9-7-14-28(16-21)25(29)23-11-5-4-10-22(23)17-27-15-13-26-20(27)2/h3-6,8,10-13,15,21H,7,9,14,16-18H2,1-2H3
InChIKeyYJTJDKJNXMXYCE-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.48
Rot. Bonds6

About [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 46972019) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID46972019
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1
InChIInChI=1S/C25H29N3O2/c1-19-8-3-6-12-24(19)30-18-21-9-7-14-28(16-21)25(29)23-11-5-4-10-22(23)17-27-15-13-26-20(27)2/h3-6,8,10-13,15,21H,7,9,14,16-18H2,1-2H3
InChIKeyYJTJDKJNXMXYCE-UHFFFAOYSA-N
XLogP4.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129456802
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129454205
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
[5-methyl-4-(morpholin-4-ylmethyl)furan-2-yl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 46957572
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912
1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone
CID 46968284

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 46972019) is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1ccccc1OCC1CCCN(C(=O)c2ccccc2Cn2ccnc2C)C1.
What is the InChIKey of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is YJTJDKJNXMXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-19-8-3-6-12-24(19)30-18-21-9-7-14-28(16-21)25(29)23-11-5-4-10-22(23)17-27-15-13-26-20(27)2/h3-6,8,10-13,15,21H,7,9,14,16-18H2,1-2H3.
What are the key properties of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).