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

C13H21ClN6O3 — CID 162327405

IUPACN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1)c1cn[nH]n1
InChIInChI=1S/C13H20N6O3.ClH/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);1H/t9-,10+;/m1./s1
InChIKeyHSRUGSOPACXGFQ-UXQCFNEQSA-N
MW344.80 g/mol
LogP-1.21
Rot. Bonds3

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

N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride (PubChem CID 162327405) has the molecular formula C13H21ClN6O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride
PubChem CID162327405
Molecular FormulaC13H21ClN6O3
Molecular Weight344.80 g/mol
Exact Mass344.14
IUPAC NameN-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1)c1cn[nH]n1
InChIInChI=1S/C13H20N6O3.ClH/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);1H/t9-,10+;/m1./s1
InChIKeyHSRUGSOPACXGFQ-UXQCFNEQSA-N
XLogP-1.21
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride (CID 162327405) is N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is HSRUGSOPACXGFQ-UXQCFNEQSA-N. The full InChI is InChI=1S/C13H20N6O3.ClH/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);1H/t9-,10+;/m1./s1.
What are the key properties of N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride?
N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of -1.21, 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;hydrochloride is sourced from PubChem (CID 162327405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).