N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H26ClN7O2 — CID 119813739

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)c2noc(Cc3ccccc3)n2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H25N7O2.ClH/c1-13(19-23-17(29-25-19)12-15-6-4-3-5-7-15)22-20(28)18-14(2)27(26-24-18)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H
InChIKeySWRGTFPNTJVPRH-UHFFFAOYSA-N
MW431.93 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119813739) has the molecular formula C20H26ClN7O2 and a molecular weight of 431.93 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119813739
Molecular FormulaC20H26ClN7O2
Molecular Weight431.93 g/mol
Exact Mass431.18
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)c2noc(Cc3ccccc3)n2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H25N7O2.ClH/c1-13(19-23-17(29-25-19)12-15-6-4-3-5-7-15)22-20(28)18-14(2)27(26-24-18)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H
InChIKeySWRGTFPNTJVPRH-UHFFFAOYSA-N
XLogP2.40
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119813739) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)c2noc(Cc3ccccc3)n2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is SWRGTFPNTJVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2.ClH/c1-13(19-23-17(29-25-19)12-15-6-4-3-5-7-15)22-20(28)18-14(2)27(26-24-18)16-8-10-21-11-9-16;/h3-7,13,16,21H,8-12H2,1-2H3,(H,22,28);1H.
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 431.93 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119813739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).