(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one

C19H26N4O — CID 97128405

IUPAC(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2nnc3ccccn23)C1
InChIInChI=1S/C19H26N4O/c1-15(2)7-6-10-19(3)11-9-18(24)22(14-19)13-17-21-20-16-8-4-5-12-23(16)17/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t19-/m0/s1
InChIKeyAWRQDVDJIMZINT-IBGZPJMESA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds5

About (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one

(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one (PubChem CID 97128405) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
PubChem CID97128405
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2nnc3ccccn23)C1
InChIInChI=1S/C19H26N4O/c1-15(2)7-6-10-19(3)11-9-18(24)22(14-19)13-17-21-20-16-8-4-5-12-23(16)17/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t19-/m0/s1
InChIKeyAWRQDVDJIMZINT-IBGZPJMESA-N
XLogP3.60
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one?
The IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one (CID 97128405) is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one is CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2nnc3ccccn23)C1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one?
The InChIKey is AWRQDVDJIMZINT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)7-6-10-19(3)11-9-18(24)22(14-19)13-17-21-20-16-8-4-5-12-23(16)17/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one?
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one is sourced from PubChem (CID 97128405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).