4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole

C17H21N5 — CID 129374249

IUPAC4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
SMILESCc1nc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n[nH]1
InChIInChI=1S/C17H21N5/c1-12-19-17(21-20-12)14-5-3-9-22(11-14)10-13-4-2-6-16-15(13)7-8-18-16/h2,4,6-8,14,18H,3,5,9-11H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyXRJWFENGXBZJEE-AWEZNQCLSA-N
MW295.39 g/mol
LogP2.97
Rot. Bonds3

About 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole

4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 129374249) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
PubChem CID129374249
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
SMILESCc1nc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n[nH]1
InChIInChI=1S/C17H21N5/c1-12-19-17(21-20-12)14-5-3-9-22(11-14)10-13-4-2-6-16-15(13)7-8-18-16/h2,4,6-8,14,18H,3,5,9-11H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyXRJWFENGXBZJEE-AWEZNQCLSA-N
XLogP2.97
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole with MolForge

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Related Compounds

2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
8-fluoro-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 124906846
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2-methyl-3-nitrophenyl)methyl]piperidine
CID 122138396
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 129490933
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901768
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole (CID 129374249) is 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole is Cc1nc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n[nH]1.
What is the InChIKey of 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is XRJWFENGXBZJEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-19-17(21-20-12)14-5-3-9-22(11-14)10-13-4-2-6-16-15(13)7-8-18-16/h2,4,6-8,14,18H,3,5,9-11H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole?
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 295.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 129374249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).