N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide

C18H34N6O — CID 119855761

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H34N6O/c1-5-22(6-2)11-12-23(13-15(3)4)18(25)17-14-24(21-20-17)16-7-9-19-10-8-16/h14-16,19H,5-13H2,1-4H3
InChIKeyHVCCOVJAMRJCDT-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.64
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119855761) has the molecular formula C18H34N6O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119855761
Molecular FormulaC18H34N6O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H34N6O/c1-5-22(6-2)11-12-23(13-15(3)4)18(25)17-14-24(21-20-17)16-7-9-19-10-8-16/h14-16,19H,5-13H2,1-4H3
InChIKeyHVCCOVJAMRJCDT-UHFFFAOYSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119817468
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119855761) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide is CCN(CC)CCN(CC(C)C)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HVCCOVJAMRJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O/c1-5-22(6-2)11-12-23(13-15(3)4)18(25)17-14-24(21-20-17)16-7-9-19-10-8-16/h14-16,19H,5-13H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119855761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).