(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one

C19H25N5O — CID 96511939

IUPAC(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
SMILESC[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1nnc2n1CCCC2
InChIInChI=1S/C19H25N5O/c1-14(18-22-21-17-11-5-6-12-24(17)18)20-16-10-7-13-23(19(16)25)15-8-3-2-4-9-15/h2-4,8-9,14,16,20H,5-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyUFKCKEKPACMYAM-GDBMZVCRSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds4

About (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one

(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one (PubChem CID 96511939) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
PubChem CID96511939
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
SMILESC[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1nnc2n1CCCC2
InChIInChI=1S/C19H25N5O/c1-14(18-22-21-17-11-5-6-12-24(17)18)20-16-10-7-13-23(19(16)25)15-8-3-2-4-9-15/h2-4,8-9,14,16,20H,5-7,10-13H2,1H3/t14-,16-/m1/s1
InChIKeyUFKCKEKPACMYAM-GDBMZVCRSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one (CID 96511939) is (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one is C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1nnc2n1CCCC2.
What is the InChIKey of (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one?
The InChIKey is UFKCKEKPACMYAM-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(18-22-21-17-11-5-6-12-24(17)18)20-16-10-7-13-23(19(16)25)15-8-3-2-4-9-15/h2-4,8-9,14,16,20H,5-7,10-13H2,1H3/t14-,16-/m1/s1.
What are the key properties of (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one?
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one is sourced from PubChem (CID 96511939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).