5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole

C21H25N3O — CID 56711543

IUPAC5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
SMILESCc1ccc2[nH]cc(CN3CCCC(OCc4cccnc4)C3)c2c1
InChIInChI=1S/C21H25N3O/c1-16-6-7-21-20(10-16)18(12-23-21)13-24-9-3-5-19(14-24)25-15-17-4-2-8-22-11-17/h2,4,6-8,10-12,19,23H,3,5,9,13-15H2,1H3
InChIKeyGHFOZWRUZCLWFQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.05
Rot. Bonds5

About 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole

5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole (PubChem CID 56711543) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
PubChem CID56711543
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
SMILESCc1ccc2[nH]cc(CN3CCCC(OCc4cccnc4)C3)c2c1
InChIInChI=1S/C21H25N3O/c1-16-6-7-21-20(10-16)18(12-23-21)13-24-9-3-5-19(14-24)25-15-17-4-2-8-22-11-17/h2,4,6-8,10-12,19,23H,3,5,9,13-15H2,1H3
InChIKeyGHFOZWRUZCLWFQ-UHFFFAOYSA-N
XLogP4.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole (CID 56711543) is 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole is Cc1ccc2[nH]cc(CN3CCCC(OCc4cccnc4)C3)c2c1.
What is the InChIKey of 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is GHFOZWRUZCLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-6-7-21-20(10-16)18(12-23-21)13-24-9-3-5-19(14-24)25-15-17-4-2-8-22-11-17/h2,4,6-8,10-12,19,23H,3,5,9,13-15H2,1H3.
What are the key properties of 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole?
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 335.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 56711543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).