1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride

C20H24Cl2N6O — CID 119828958

IUPAC1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cc2ccncc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H22N6O.2ClH/c27-20(19-14-26(25-24-19)18-7-11-22-12-8-18)23-17-3-1-15(2-4-17)13-16-5-9-21-10-6-16;;/h1-6,9-10,14,18,22H,7-8,11-13H2,(H,23,27);2*1H
InChIKeyHQGOPOWPXBAWHS-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.28
Rot. Bonds5

About 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119828958) has the molecular formula C20H24Cl2N6O and a molecular weight of 435.36 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119828958
Molecular FormulaC20H24Cl2N6O
Molecular Weight435.36 g/mol
Exact Mass434.14
IUPAC Name1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cc2ccncc2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H22N6O.2ClH/c27-20(19-14-26(25-24-19)18-7-11-22-12-8-18)23-17-3-1-15(2-4-17)13-16-5-9-21-10-6-16;;/h1-6,9-10,14,18,22H,7-8,11-13H2,(H,23,27);2*1H
InChIKeyHQGOPOWPXBAWHS-UHFFFAOYSA-N
XLogP3.28
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
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N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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1-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]triazole-4-carboxamide
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N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide;dihydrochloride
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N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
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1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
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ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide
CID 119844777
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride (CID 119828958) is 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Cc2ccncc2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is HQGOPOWPXBAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.2ClH/c27-20(19-14-26(25-24-19)18-7-11-22-12-8-18)23-17-3-1-15(2-4-17)13-16-5-9-21-10-6-16;;/h1-6,9-10,14,18,22H,7-8,11-13H2,(H,23,27);2*1H.
What are the key properties of 1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 435.36 g/mol, XLogP of 3.28, 5 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-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119828958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).