(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C27H29N3O2S — CID 59338261

IUPAC(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(-c2cccc3c2oc2ccccc23)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H29N3O2S/c1-18-25(27(31)30-16-12-19(13-17-30)29-14-5-2-6-15-29)33-26(28-18)22-10-7-9-21-20-8-3-4-11-23(20)32-24(21)22/h3-4,7-11,19H,2,5-6,12-17H2,1H3
InChIKeyQEMKWOLJMMUPPP-UHFFFAOYSA-N
MW459.62 g/mol
LogP6.11
Rot. Bonds3

About (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 59338261) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID59338261
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC Name(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nc(-c2cccc3c2oc2ccccc23)sc1C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H29N3O2S/c1-18-25(27(31)30-16-12-19(13-17-30)29-14-5-2-6-15-29)33-26(28-18)22-10-7-9-21-20-8-3-4-11-23(20)32-24(21)22/h3-4,7-11,19H,2,5-6,12-17H2,1H3
InChIKeyQEMKWOLJMMUPPP-UHFFFAOYSA-N
XLogP6.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 42534917
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115

Frequently Asked Questions

What is the IUPAC name of (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 59338261) is (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1nc(-c2cccc3c2oc2ccccc23)sc1C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is QEMKWOLJMMUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-18-25(27(31)30-16-12-19(13-17-30)29-14-5-2-6-15-29)33-26(28-18)22-10-7-9-21-20-8-3-4-11-23(20)32-24(21)22/h3-4,7-11,19H,2,5-6,12-17H2,1H3.
What are the key properties of (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 459.62 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dibenzofuran-4-yl-4-methyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59338261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).