3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one

C19H25N3O2 — CID 70711948

IUPAC3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CC(C)n3ccnc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(12-15)24-17-6-9-21(10-7-17)19(23)13-16(2)22-11-8-20-14-22/h3-5,8,11-12,14,16-17H,6-7,9-10,13H2,1-2H3
InChIKeyWRYRPSYOTRFOLC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.21
Rot. Bonds5

About 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one

3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one (PubChem CID 70711948) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
PubChem CID70711948
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
SMILESCc1cccc(OC2CCN(C(=O)CC(C)n3ccnc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(12-15)24-17-6-9-21(10-7-17)19(23)13-16(2)22-11-8-20-14-22/h3-5,8,11-12,14,16-17H,6-7,9-10,13H2,1-2H3
InChIKeyWRYRPSYOTRFOLC-UHFFFAOYSA-N
XLogP3.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one
CID 96572175
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
1-[3-(2-chlorophenoxy)azetidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 118786424
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70767696
5-[4-(3-bromophenoxy)piperidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 132972568
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one (CID 70711948) is 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one is Cc1cccc(OC2CCN(C(=O)CC(C)n3ccnc3)CC2)c1.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one?
The InChIKey is WRYRPSYOTRFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-4-3-5-18(12-15)24-17-6-9-21(10-7-17)19(23)13-16(2)22-11-8-20-14-22/h3-5,8,11-12,14,16-17H,6-7,9-10,13H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one?
3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(3-methylphenoxy)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70711948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).