N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C21H34Cl2N6O — CID 119399163

IUPACN-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H32N6O.2ClH/c1-4-26(5-2)19(17-9-7-6-8-10-17)15-23-21(28)20-16(3)27(25-24-20)18-11-13-22-14-12-18;;/h6-10,18-19,22H,4-5,11-15H2,1-3H3,(H,23,28);2*1H
InChIKeyIHGPFHAMMATKSO-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.17
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119399163) has the molecular formula C21H34Cl2N6O and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119399163
Molecular FormulaC21H34Cl2N6O
Molecular Weight457.45 g/mol
Exact Mass456.22
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H32N6O.2ClH/c1-4-26(5-2)19(17-9-7-6-8-10-17)15-23-21(28)20-16(3)27(25-24-20)18-11-13-22-14-12-18;;/h6-10,18-19,22H,4-5,11-15H2,1-3H3,(H,23,28);2*1H
InChIKeyIHGPFHAMMATKSO-UHFFFAOYSA-N
XLogP3.17
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119783777
N-(2-hydroxy-2-naphthalen-2-ylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119708285
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119850392
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119399163) is N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is IHGPFHAMMATKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.2ClH/c1-4-26(5-2)19(17-9-7-6-8-10-17)15-23-21(28)20-16(3)27(25-24-20)18-11-13-22-14-12-18;;/h6-10,18-19,22H,4-5,11-15H2,1-3H3,(H,23,28);2*1H.
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 457.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119399163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).