N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H26ClN5O3 — CID 119683209

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-2-23(11-15-13-26-17-5-3-4-6-18(17)27-15)19(25)16-12-24(22-21-16)14-7-9-20-10-8-14;/h3-6,12,14-15,20H,2,7-11,13H2,1H3;1H
InChIKeyHYESFWUVUAHDCI-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.93
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119683209) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119683209
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-2-23(11-15-13-26-17-5-3-4-6-18(17)27-15)19(25)16-12-24(22-21-16)14-7-9-20-10-8-14;/h3-6,12,14-15,20H,2,7-11,13H2,1H3;1H
InChIKeyHYESFWUVUAHDCI-UHFFFAOYSA-N
XLogP1.93
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119684038
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119803832
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]-N-ethyltriazole-4-carboxamide
CID 95722318
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 63036864
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methoxybenzamide
CID 78711266
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119683209) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(CC1COc2ccccc2O1)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is HYESFWUVUAHDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.ClH/c1-2-23(11-15-13-26-17-5-3-4-6-18(17)27-15)19(25)16-12-24(22-21-16)14-7-9-20-10-8-14;/h3-6,12,14-15,20H,2,7-11,13H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119683209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).