[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C17H22N4O2 — CID 72840488

IUPAC[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CCCN(Cc2ccco2)C1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H22N4O2/c22-17(21-7-5-15-16(11-21)19-12-18-15)13-3-1-6-20(9-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,18,19)
InChIKeyHCEBKYXGPDIQJM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.80
Rot. Bonds3

About [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72840488) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72840488
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CCCN(Cc2ccco2)C1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H22N4O2/c22-17(21-7-5-15-16(11-21)19-12-18-15)13-3-1-6-20(9-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,18,19)
InChIKeyHCEBKYXGPDIQJM-UHFFFAOYSA-N
XLogP1.80
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 45250420
3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 99978204
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72840488) is [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(C1CCCN(Cc2ccco2)C1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HCEBKYXGPDIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(21-7-5-15-16(11-21)19-12-18-15)13-3-1-6-20(9-13)10-14-4-2-8-23-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H,18,19).
What are the key properties of [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72840488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).