N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C17H34Cl2N6O — CID 119861207

IUPACN-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCCNC(=O)c1cn(C2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C17H32N6O.2ClH/c1-3-11-22(12-4-2)13-5-8-19-17(24)16-14-23(21-20-16)15-6-9-18-10-7-15;;/h14-15,18H,3-13H2,1-2H3,(H,19,24);2*1H
InChIKeySXHOCTFAIBNQPH-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.29
Rot. Bonds10

About N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119861207) has the molecular formula C17H34Cl2N6O and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119861207
Molecular FormulaC17H34Cl2N6O
Molecular Weight409.41 g/mol
Exact Mass408.22
IUPAC NameN-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCCN(CCC)CCCNC(=O)c1cn(C2CCNCC2)nn1.Cl.Cl
InChIInChI=1S/C17H32N6O.2ClH/c1-3-11-22(12-4-2)13-5-8-19-17(24)16-14-23(21-20-16)15-6-9-18-10-7-15;;/h14-15,18H,3-13H2,1-2H3,(H,19,24);2*1H
InChIKeySXHOCTFAIBNQPH-UHFFFAOYSA-N
XLogP2.29
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.29
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-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
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
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961
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
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119861207) is N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CCCN(CCC)CCCNC(=O)c1cn(C2CCNCC2)nn1.Cl.Cl.
What is the InChIKey of N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is SXHOCTFAIBNQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O.2ClH/c1-3-11-22(12-4-2)13-5-8-19-17(24)16-14-23(21-20-16)15-6-9-18-10-7-15;;/h14-15,18H,3-13H2,1-2H3,(H,19,24);2*1H.
What are the key properties of N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 409.41 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).