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

C19H28N4 — CID 95854321

IUPAC3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1
InChIInChI=1S/C19H28N4/c1-14-4-3-11-23(12-14)13-17-16-5-2-8-21-19(16)22-18(17)15-6-9-20-10-7-15/h2,5,8,14-15,20H,3-4,6-7,9-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyGWZYCPNARHGSEZ-AWEZNQCLSA-N
MW312.46 g/mol
LogP3.26
Rot. Bonds3

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

3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 95854321) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID95854321
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1
InChIInChI=1S/C19H28N4/c1-14-4-3-11-23(12-14)13-17-16-5-2-8-21-19(16)22-18(17)15-6-9-20-10-7-15/h2,5,8,14-15,20H,3-4,6-7,9-13H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyGWZYCPNARHGSEZ-AWEZNQCLSA-N
XLogP3.26
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 51593062
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
CID 110234738
3-[[(2S,3R)-2,3-dimethylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 124792224
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
CID 124802857
(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124909668
N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
CID 95854323
1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 59506892

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 95854321) is 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is C[C@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1.
What is the InChIKey of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GWZYCPNARHGSEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4/c1-14-4-3-11-23(12-14)13-17-16-5-2-8-21-19(16)22-18(17)15-6-9-20-10-7-15/h2,5,8,14-15,20H,3-4,6-7,9-13H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine?
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 312.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 95854321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).