1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone

C20H24N4O3 — CID 72916286

IUPAC1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1)N1CCCCC1
InChIInChI=1S/C20H24N4O3/c25-19(23-8-2-1-3-9-23)13-27-16-6-4-5-15(11-16)20(26)24-10-7-17-18(12-24)22-14-21-17/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,22)
InChIKeyQTWRKRMQDWLOBX-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.00
Rot. Bonds4

About 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone

1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone (PubChem CID 72916286) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
PubChem CID72916286
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1)N1CCCCC1
InChIInChI=1S/C20H24N4O3/c25-19(23-8-2-1-3-9-23)13-27-16-6-4-5-15(11-16)20(26)24-10-7-17-18(12-24)22-14-21-17/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,22)
InChIKeyQTWRKRMQDWLOBX-UHFFFAOYSA-N
XLogP2.00
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
2-(2-methylphenoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 110712810
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
1,4,5,7,8,9-hexahydroimidazo[4,5-d]azocin-6-yl(naphthalen-2-yl)methanone
CID 20803055
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
1-piperidin-1-yl-2-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-7-yl)phenoxy]ethanone
CID 165421253
4-phenoxy-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 72878834
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
[3-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543540
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone (CID 72916286) is 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone is O=C(COc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone?
The InChIKey is QTWRKRMQDWLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(23-8-2-1-3-9-23)13-27-16-6-4-5-15(11-16)20(26)24-10-7-17-18(12-24)22-14-21-17/h4-6,11,14H,1-3,7-10,12-13H2,(H,21,22).
What are the key properties of 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone?
1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone has a molecular weight of 368.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone is sourced from PubChem (CID 72916286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).