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

C16H21N3O2 — CID 92610992

IUPAC3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-21-9-6-15(20)19-8-3-5-13(11-19)14-10-12-4-2-7-17-16(12)18-14/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyTZYZHLCSIXWCPV-CYBMUJFWSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds4

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

3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92610992) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92610992
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-21-9-6-15(20)19-8-3-5-13(11-19)14-10-12-4-2-7-17-16(12)18-14/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyTZYZHLCSIXWCPV-CYBMUJFWSA-N
XLogP2.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
(5R)-3-methyl-5-[2-oxo-2-[(3S)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92607674
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
1-methyl-4-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110234485
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470
2-morpholin-4-yl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 110234494
2-(dimethylamino)-7-[(3S)-1-(3-methoxypropanoyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 92607310
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
N-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433207
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (CID 92610992) is 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1.
What is the InChIKey of 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is TZYZHLCSIXWCPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-9-6-15(20)19-8-3-5-13(11-19)14-10-12-4-2-7-17-16(12)18-14/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92610992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).