1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone

C18H25N5O — CID 94446547

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nnc3ccccn23)C1
InChIInChI=1S/C18H25N5O/c1-14-6-4-10-22(12-14)17(24)13-21-9-5-7-15(21)18-20-19-16-8-2-3-11-23(16)18/h2-3,8,11,14-15H,4-7,9-10,12-13H2,1H3/t14-,15+/m0/s1
InChIKeyGHRHRSXRHGNKCW-LSDHHAIUSA-N
MW327.43 g/mol
LogP2.12
Rot. Bonds3

About 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone

1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 94446547) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID94446547
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nnc3ccccn23)C1
InChIInChI=1S/C18H25N5O/c1-14-6-4-10-22(12-14)17(24)13-21-9-5-7-15(21)18-20-19-16-8-2-3-11-23(16)18/h2-3,8,11,14-15H,4-7,9-10,12-13H2,1H3/t14-,15+/m0/s1
InChIKeyGHRHRSXRHGNKCW-LSDHHAIUSA-N
XLogP2.12
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 94180427
N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide
CID 47012852
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 75463672
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
4-(2,5-dimethylpyrrol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 121238837
3-(4-tert-butylphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51926466
(3aR,7aS)-2-[3-oxo-3-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51926441
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 118789182
2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 46528379
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone (CID 94446547) is 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2nnc3ccccn23)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is GHRHRSXRHGNKCW-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-6-4-10-22(12-14)17(24)13-21-9-5-7-15(21)18-20-19-16-8-2-3-11-23(16)18/h2-3,8,11,14-15H,4-7,9-10,12-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94446547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).