N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide

C20H28N6O2 — CID 119853215

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O2/c27-20(18-15-26(24-23-18)17-6-8-21-9-7-17)22-14-19(16-4-2-1-3-5-16)25-10-12-28-13-11-25/h1-5,15,17,19,21H,6-14H2,(H,22,27)
InChIKeyWWYOWLJGYKJDEN-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.01
Rot. Bonds6

About N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119853215) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119853215
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H28N6O2/c27-20(18-15-26(24-23-18)17-6-8-21-9-7-17)22-14-19(16-4-2-1-3-5-16)25-10-12-28-13-11-25/h1-5,15,17,19,21H,6-14H2,(H,22,27)
InChIKeyWWYOWLJGYKJDEN-UHFFFAOYSA-N
XLogP1.01
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119841672
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-(2-methyl-2-morpholin-4-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119830188
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119853215) is N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WWYOWLJGYKJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-20(18-15-26(24-23-18)17-6-8-21-9-7-17)22-14-19(16-4-2-1-3-5-16)25-10-12-28-13-11-25/h1-5,15,17,19,21H,6-14H2,(H,22,27).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119853215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).