1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone

C19H24N4O2 — CID 165419639

IUPAC1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)CC1
InChIInChI=1S/C19H24N4O2/c1-13(24)22-7-5-15(6-8-22)23-10-17(14-3-2-4-16(25)9-14)19-18(11-23)20-12-21-19/h2-4,9,12,15,17,25H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyKRUNHERIIKTFOQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone

1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 165419639) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID165419639
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)CC1
InChIInChI=1S/C19H24N4O2/c1-13(24)22-7-5-15(6-8-22)23-10-17(14-3-2-4-16(25)9-14)19-18(11-23)20-12-21-19/h2-4,9,12,15,17,25H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyKRUNHERIIKTFOQ-UHFFFAOYSA-N
XLogP2.07
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone (CID 165419639) is 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2Cc3[nH]cnc3C(c3cccc(O)c3)C2)CC1.
What is the InChIKey of 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is KRUNHERIIKTFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(24)22-7-5-15(6-8-22)23-10-17(14-3-2-4-16(25)9-14)19-18(11-23)20-12-21-19/h2-4,9,12,15,17,25H,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone?
1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 165419639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).