N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide

C19H34N6O2 — CID 119841672

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cn(C2CCNCC2)nn1)N1CCOCC1
InChIInChI=1S/C19H34N6O2/c1-3-15(4-2)18(24-9-11-27-12-10-24)13-21-19(26)17-14-25(23-22-17)16-5-7-20-8-6-16/h14-16,18,20H,3-13H2,1-2H3,(H,21,26)
InChIKeyWODQRUXIYCRNDW-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.07
Rot. Bonds8

About N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119841672) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119841672
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1cn(C2CCNCC2)nn1)N1CCOCC1
InChIInChI=1S/C19H34N6O2/c1-3-15(4-2)18(24-9-11-27-12-10-24)13-21-19(26)17-14-25(23-22-17)16-5-7-20-8-6-16/h14-16,18,20H,3-13H2,1-2H3,(H,21,26)
InChIKeyWODQRUXIYCRNDW-UHFFFAOYSA-N
XLogP1.07
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119853215
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-methyl-2-morpholin-4-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119830188
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119841672) is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide is CCC(CC)C(CNC(=O)c1cn(C2CCNCC2)nn1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WODQRUXIYCRNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-3-15(4-2)18(24-9-11-27-12-10-24)13-21-19(26)17-14-25(23-22-17)16-5-7-20-8-6-16/h14-16,18,20H,3-13H2,1-2H3,(H,21,26).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119841672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).