1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone

C19H24N4O2 — CID 165421253

IUPAC1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(C2CNCc3[nH]cnc32)c1)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-18(23-7-2-1-3-8-23)12-25-15-6-4-5-14(9-15)16-10-20-11-17-19(16)22-13-21-17/h4-6,9,13,16,20H,1-3,7-8,10-12H2,(H,21,22)
InChIKeyBEUKDVAJVKIJRP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds4

About 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone

1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone (PubChem CID 165421253) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone
PubChem CID165421253
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone
SMILESO=C(COc1cccc(C2CNCc3[nH]cnc32)c1)N1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-18(23-7-2-1-3-8-23)12-25-15-6-4-5-14(9-15)16-10-20-11-17-19(16)22-13-21-17/h4-6,9,13,16,20H,1-3,7-8,10-12H2,(H,21,22)
InChIKeyBEUKDVAJVKIJRP-UHFFFAOYSA-N
XLogP2.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
CID 72916286
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
3,3,6,6-tetramethyl-9-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 3442134
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone (CID 165421253) is 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone is O=C(COc1cccc(C2CNCc3[nH]cnc32)c1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone?
The InChIKey is BEUKDVAJVKIJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(23-7-2-1-3-8-23)12-25-15-6-4-5-14(9-15)16-10-20-11-17-19(16)22-13-21-17/h4-6,9,13,16,20H,1-3,7-8,10-12H2,(H,21,22).
What are the key properties of 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone?
1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone is sourced from PubChem (CID 165421253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).