N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H28N6O2 — CID 119885815

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)CCCOc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H28N6O2/c1-24(2)11-4-12-27-17-6-3-5-15(13-17)21-19(26)18-14-25(23-22-18)16-7-9-20-10-8-16/h3,5-6,13-14,16,20H,4,7-12H2,1-2H3,(H,21,26)
InChIKeyIAXYAOJKDPDNKU-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.79
Rot. Bonds8

About N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119885815) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119885815
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)CCCOc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H28N6O2/c1-24(2)11-4-12-27-17-6-3-5-15(13-17)21-19(26)18-14-25(23-22-18)16-7-9-20-10-8-16/h3,5-6,13-14,16,20H,4,7-12H2,1-2H3,(H,21,26)
InChIKeyIAXYAOJKDPDNKU-UHFFFAOYSA-N
XLogP1.79
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119877260
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119885815) is N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide is CN(C)CCCOc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is IAXYAOJKDPDNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-24(2)11-4-12-27-17-6-3-5-15(13-17)21-19(26)18-14-25(23-22-18)16-7-9-20-10-8-16/h3,5-6,13-14,16,20H,4,7-12H2,1-2H3,(H,21,26).
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119885815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).