4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride

C13H24ClN5O2 — CID 120642134

IUPAC4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
SMILESCOCCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-18-13(15-11(19)4-3-9-20-2)16-12(17-18)10-5-7-14-8-6-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H
InChIKeyRONMVLJYRZSQFY-UHFFFAOYSA-N
MW317.82 g/mol
LogP1.07
Rot. Bonds6

About 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride

4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride (PubChem CID 120642134) has the molecular formula C13H24ClN5O2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
PubChem CID120642134
Molecular FormulaC13H24ClN5O2
Molecular Weight317.82 g/mol
Exact Mass317.16
IUPAC Name4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
SMILESCOCCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-18-13(15-11(19)4-3-9-20-2)16-12(17-18)10-5-7-14-8-6-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H
InChIKeyRONMVLJYRZSQFY-UHFFFAOYSA-N
XLogP1.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride (CID 120642134) is 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride is COCCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
What is the InChIKey of 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride?
The InChIKey is RONMVLJYRZSQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2.ClH/c1-18-13(15-11(19)4-3-9-20-2)16-12(17-18)10-5-7-14-8-6-10;/h10,14H,3-9H2,1-2H3,(H,15,16,17,19);1H.
What are the key properties of 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride?
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120642134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).