1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one

C22H25N3O2 — CID 166104940

IUPAC1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one
SMILESO=C(CCn1ccc2cccnc21)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H25N3O2/c26-21(11-15-24-14-10-19-7-4-12-23-22(19)24)25-13-5-6-18(16-25)17-27-20-8-2-1-3-9-20/h1-4,7-10,12,14,18H,5-6,11,13,15-17H2
InChIKeyTVYQNTDIKWMJBE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds6

About 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one

1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one (PubChem CID 166104940) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one
PubChem CID166104940
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one
SMILESO=C(CCn1ccc2cccnc21)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C22H25N3O2/c26-21(11-15-24-14-10-19-7-4-12-23-22(19)24)25-13-5-6-18(16-25)17-27-20-8-2-1-3-9-20/h1-4,7-10,12,14,18H,5-6,11,13,15-17H2
InChIKeyTVYQNTDIKWMJBE-UHFFFAOYSA-N
XLogP3.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one 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

2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70772405
1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 96573973

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one?
The IUPAC name of 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one (CID 166104940) is 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one is O=C(CCn1ccc2cccnc21)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one?
The InChIKey is TVYQNTDIKWMJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(11-15-24-14-10-19-7-4-12-23-22(19)24)25-13-5-6-18(16-25)17-27-20-8-2-1-3-9-20/h1-4,7-10,12,14,18H,5-6,11,13,15-17H2.
What are the key properties of 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one?
1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one is sourced from PubChem (CID 166104940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).