N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H28N6O — CID 119835652

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CCCNC(=O)c1cn(C2CCNCC2)nn1)Cc1ccccc1
InChIInChI=1S/C19H28N6O/c1-24(14-16-6-3-2-4-7-16)13-5-10-21-19(26)18-15-25(23-22-18)17-8-11-20-12-9-17/h2-4,6-7,15,17,20H,5,8-14H2,1H3,(H,21,26)
InChIKeyWVPHSPNXKHRELO-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.45
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119835652) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119835652
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CCCNC(=O)c1cn(C2CCNCC2)nn1)Cc1ccccc1
InChIInChI=1S/C19H28N6O/c1-24(14-16-6-3-2-4-7-16)13-5-10-21-19(26)18-15-25(23-22-18)17-8-11-20-12-9-17/h2-4,6-7,15,17,20H,5,8-14H2,1H3,(H,21,26)
InChIKeyWVPHSPNXKHRELO-UHFFFAOYSA-N
XLogP1.45
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.45
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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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119835652) is N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide is CN(CCCNC(=O)c1cn(C2CCNCC2)nn1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WVPHSPNXKHRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-24(14-16-6-3-2-4-7-16)13-5-10-21-19(26)18-15-25(23-22-18)17-8-11-20-12-9-17/h2-4,6-7,15,17,20H,5,8-14H2,1H3,(H,21,26).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119835652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).