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

C21H23N3O2 — CID 124731707

IUPAC(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-15(26-17-6-3-2-4-7-17)21(25)24-12-9-16(10-13-24)19-14-23-20-18(19)8-5-11-22-20/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJDKBAAGTXHEXLH-OAHLLOKOSA-N
MW349.43 g/mol
LogP3.74
Rot. Bonds4

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

(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 124731707) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
PubChem CID124731707
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-15(26-17-6-3-2-4-7-17)21(25)24-12-9-16(10-13-24)19-14-23-20-18(19)8-5-11-22-20/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJDKBAAGTXHEXLH-OAHLLOKOSA-N
XLogP3.74
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]oxybenzonitrile
CID 55836693
2-(3-fluorophenoxy)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 86829901
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one (CID 124731707) is (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one is C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JDKBAAGTXHEXLH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(26-17-6-3-2-4-7-17)21(25)24-12-9-16(10-13-24)19-14-23-20-18(19)8-5-11-22-20/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one?
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).