(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide

C18H28N6O3 — CID 72871644

IUPAC(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N6O3/c25-17(20-12-16-22-21-15-3-1-2-4-24(15)16)13-9-14(11-19-10-13)18(26)23-5-7-27-8-6-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1
InChIKeyXWHJIEFMWXGBTB-ZIAGYGMSSA-N
MW376.46 g/mol
LogP-0.68
Rot. Bonds4

About (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 72871644) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID72871644
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H28N6O3/c25-17(20-12-16-22-21-15-3-1-2-4-24(15)16)13-9-14(11-19-10-13)18(26)23-5-7-27-8-6-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1
InChIKeyXWHJIEFMWXGBTB-ZIAGYGMSSA-N
XLogP-0.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 72871644) is (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1nnc2n1CCCC2)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XWHJIEFMWXGBTB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N6O3/c25-17(20-12-16-22-21-15-3-1-2-4-24(15)16)13-9-14(11-19-10-13)18(26)23-5-7-27-8-6-23/h13-14,19H,1-12H2,(H,20,25)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(morpholine-4-carbonyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72871644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).