2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

C21H25N3O2 — CID 92594818

IUPAC2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1
InChIInChI=1S/C21H25N3O2/c1-25-18-8-7-17(20(12-18)26-2)14-24-10-4-6-16(13-24)19-11-15-5-3-9-22-21(15)23-19/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyLAHDYYNMZFHNOU-INIZCTEOSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds5

About 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine

2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92594818) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92594818
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1
InChIInChI=1S/C21H25N3O2/c1-25-18-8-7-17(20(12-18)26-2)14-24-10-4-6-16(13-24)19-11-15-5-3-9-22-21(15)23-19/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyLAHDYYNMZFHNOU-INIZCTEOSA-N
XLogP3.96
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

[2-methoxy-5-[[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 92597374
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92572827
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589629
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45214011
2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608958
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine
CID 45174456
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92594818) is 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1.
What is the InChIKey of 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LAHDYYNMZFHNOU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-25-18-8-7-17(20(12-18)26-2)14-24-10-4-6-16(13-24)19-11-15-5-3-9-22-21(15)23-19/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 351.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92594818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).