N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C19H30Cl2N6O — CID 119861961

IUPACN-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCCCNC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N6O.2ClH/c1-24(16-7-3-2-4-8-16)14-6-5-11-21-19(26)18-15-25(23-22-18)17-9-12-20-13-10-17;;/h2-4,7-8,15,17,20H,5-6,9-14H2,1H3,(H,21,26);2*1H
InChIKeyHVNCJDFTHMYPPO-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.69
Rot. Bonds8

About N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119861961) has the molecular formula C19H30Cl2N6O and a molecular weight of 429.40 g/mol. Its IUPAC name is N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119861961
Molecular FormulaC19H30Cl2N6O
Molecular Weight429.40 g/mol
Exact Mass428.19
IUPAC NameN-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCCCNC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H28N6O.2ClH/c1-24(16-7-3-2-4-8-16)14-6-5-11-21-19(26)18-15-25(23-22-18)17-9-12-20-13-10-17;;/h2-4,7-8,15,17,20H,5-6,9-14H2,1H3,(H,21,26);2*1H
InChIKeyHVNCJDFTHMYPPO-UHFFFAOYSA-N
XLogP2.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.69
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-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
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
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119861961) is N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CN(CCCCNC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is HVNCJDFTHMYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.2ClH/c1-24(16-7-3-2-4-8-16)14-6-5-11-21-19(26)18-15-25(23-22-18)17-9-12-20-13-10-17;;/h2-4,7-8,15,17,20H,5-6,9-14H2,1H3,(H,21,26);2*1H.
What are the key properties of N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 429.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).