[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C20H22N4O3 — CID 70746608

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H22N4O3/c25-20(19-4-3-18(27-19)13-23-11-8-22-15-23)24-9-5-17(6-10-24)26-14-16-2-1-7-21-12-16/h1-4,7-8,11-12,15,17H,5-6,9-10,13-14H2
InChIKeyNAMYLXYYHTURAZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.74
Rot. Bonds6

About [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70746608) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70746608
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H22N4O3/c25-20(19-4-3-18(27-19)13-23-11-8-22-15-23)24-9-5-17(6-10-24)26-14-16-2-1-7-21-12-16/h1-4,7-8,11-12,15,17H,5-6,9-10,13-14H2
InChIKeyNAMYLXYYHTURAZ-UHFFFAOYSA-N
XLogP2.74
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70761131
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 56743421
3-[(3R)-1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]benzoic acid
CID 97207996
(2,3-difluoro-6-methoxyphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70748748

Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70746608) is [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is NAMYLXYYHTURAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-20(19-4-3-18(27-19)13-23-11-8-22-15-23)24-9-5-17(6-10-24)26-14-16-2-1-7-21-12-16/h1-4,7-8,11-12,15,17H,5-6,9-10,13-14H2.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70746608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).