N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide

C13H20N6O3 — CID 154319934

IUPACN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1)c1cn[nH]n1
InChIInChI=1S/C13H20N6O3/c20-12(11-8-15-18-17-11)16-10-5-9(6-14-7-10)13(21)19-1-3-22-4-2-19/h8-10,14H,1-7H2,(H,16,20)(H,15,17,18)/t9-,10+/m1/s1
InChIKeyQKEMYVAGYNUPAW-ZJUUUORDSA-N
MW308.34 g/mol
LogP-1.63
Rot. Bonds3

About N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide

N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide (PubChem CID 154319934) has the molecular formula C13H20N6O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
PubChem CID154319934
Molecular FormulaC13H20N6O3
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC NameN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1)c1cn[nH]n1
InChIInChI=1S/C13H20N6O3/c20-12(11-8-15-18-17-11)16-10-5-9(6-14-7-10)13(21)19-1-3-22-4-2-19/h8-10,14H,1-7H2,(H,16,20)(H,15,17,18)/t9-,10+/m1/s1
InChIKeyQKEMYVAGYNUPAW-ZJUUUORDSA-N
XLogP-1.63
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide (CID 154319934) is N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide is O=C(N[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1)c1cn[nH]n1.
What is the InChIKey of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
The InChIKey is QKEMYVAGYNUPAW-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N6O3/c20-12(11-8-15-18-17-11)16-10-5-9(6-14-7-10)13(21)19-1-3-22-4-2-19/h8-10,14H,1-7H2,(H,16,20)(H,15,17,18)/t9-,10+/m1/s1.
What are the key properties of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide?
N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of -1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 154319934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).