1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride

C15H28Cl2N6O — CID 119835561

IUPAC1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H26N6O.2ClH/c22-15(17-6-3-11-20-9-1-2-10-20)14-12-21(19-18-14)13-4-7-16-8-5-13;;/h12-13,16H,1-11H2,(H,17,22);2*1H
InChIKeyMOADAFZWCVWBHE-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.26
Rot. Bonds6

About 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride (PubChem CID 119835561) has the molecular formula C15H28Cl2N6O and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
PubChem CID119835561
Molecular FormulaC15H28Cl2N6O
Molecular Weight379.34 g/mol
Exact Mass378.17
IUPAC Name1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H26N6O.2ClH/c22-15(17-6-3-11-20-9-1-2-10-20)14-12-21(19-18-14)13-4-7-16-8-5-13;;/h12-13,16H,1-11H2,(H,17,22);2*1H
InChIKeyMOADAFZWCVWBHE-UHFFFAOYSA-N
XLogP1.26
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.26
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

1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
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-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119887791
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride (CID 119835561) is 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride?
The InChIKey is MOADAFZWCVWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O.2ClH/c22-15(17-6-3-11-20-9-1-2-10-20)14-12-21(19-18-14)13-4-7-16-8-5-13;;/h12-13,16H,1-11H2,(H,17,22);2*1H.
What are the key properties of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride has a molecular weight of 379.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119835561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).