N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24ClN5O3 — CID 119684778

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCCO3)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-12-17(21-22-23(12)14-4-6-19-7-5-14)18(24)20-11-13-2-3-15-16(10-13)26-9-8-25-15;/h2-3,10,14,19H,4-9,11H2,1H3,(H,20,24);1H
InChIKeyJBSSZAUENKUVMA-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.63
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119684778) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119684778
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCCO3)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-12-17(21-22-23(12)14-4-6-19-7-5-14)18(24)20-11-13-2-3-15-16(10-13)26-9-8-25-15;/h2-3,10,14,19H,4-9,11H2,1H3,(H,20,24);1H
InChIKeyJBSSZAUENKUVMA-UHFFFAOYSA-N
XLogP1.63
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
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CID 119847239
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-1-piperidin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841519
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841338
5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 119399541
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclopropylethyl)-5-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-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119684778) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is JBSSZAUENKUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c1-12-17(21-22-23(12)14-4-6-19-7-5-14)18(24)20-11-13-2-3-15-16(10-13)26-9-8-25-15;/h2-3,10,14,19H,4-9,11H2,1H3,(H,20,24);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119684778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).