3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one

C21H23N3O2 — CID 112533904

IUPAC3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C21H23N3O2/c25-20(10-14-26-17-5-2-1-3-6-17)24-15-18(16-8-12-22-13-9-16)21-19(24)7-4-11-23-21/h1-7,11,15-16,22H,8-10,12-14H2
InChIKeyWCUCWBTXBIUDPA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.61
Rot. Bonds5

About 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one

3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one (PubChem CID 112533904) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
PubChem CID112533904
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C21H23N3O2/c25-20(10-14-26-17-5-2-1-3-6-17)24-15-18(16-8-12-22-13-9-16)21-19(24)7-4-11-23-21/h1-7,11,15-16,22H,8-10,12-14H2
InChIKeyWCUCWBTXBIUDPA-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
CID 112533773
2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533829
2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533770
2,2,2-trifluoro-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533837
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one?
The IUPAC name of 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one (CID 112533904) is 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one is O=C(CCOc1ccccc1)n1cc(C2CCNCC2)c2ncccc21.
What is the InChIKey of 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one?
The InChIKey is WCUCWBTXBIUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(10-14-26-17-5-2-1-3-6-17)24-15-18(16-8-12-22-13-9-16)21-19(24)7-4-11-23-21/h1-7,11,15-16,22H,8-10,12-14H2.
What are the key properties of 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one?
3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 112533904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).