[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C18H24N6O — CID 100840655

IUPAC[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C18H24N6O/c25-18(23-10-4-6-16(12-23)24-14-19-13-21-24)15-5-3-9-22(11-15)17-7-1-2-8-20-17/h1-2,7-8,13-16H,3-6,9-12H2/t15-,16+/m0/s1
InChIKeyIIECYAXQXAMHDD-JKSUJKDBSA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds3

About [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 100840655) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID100840655
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C18H24N6O/c25-18(23-10-4-6-16(12-23)24-14-19-13-21-24)15-5-3-9-22(11-15)17-7-1-2-8-20-17/h1-2,7-8,13-16H,3-6,9-12H2/t15-,16+/m0/s1
InChIKeyIIECYAXQXAMHDD-JKSUJKDBSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840629
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100837164
[(1R,2R)-2-phenylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840660
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
[(1S)-2,3-dihydro-1H-inden-1-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736781
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95736503
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95771513
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 100840655) is [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is IIECYAXQXAMHDD-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(23-10-4-6-16(12-23)24-14-19-13-21-24)15-5-3-9-22(11-15)17-7-1-2-8-20-17/h1-2,7-8,13-16H,3-6,9-12H2/t15-,16+/m0/s1.
What are the key properties of [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100840655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).