1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride

C19H26ClN5O — CID 119727343

IUPAC1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCc2ccccc21)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O.ClH/c25-19(18-13-24(23-22-18)16-8-10-20-11-9-16)21-12-15-6-3-5-14-4-1-2-7-17(14)15;/h1-2,4,7,13,15-16,20H,3,5-6,8-12H2,(H,21,25);1H
InChIKeyGFGYPJUOYGKQPJ-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.47
Rot. Bonds4

About 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119727343) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119727343
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCc2ccccc21)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O.ClH/c25-19(18-13-24(23-22-18)16-8-10-20-11-9-16)21-12-15-6-3-5-14-4-1-2-7-17(14)15;/h1-2,4,7,13,15-16,20H,3,5-6,8-12H2,(H,21,25);1H
InChIKeyGFGYPJUOYGKQPJ-UHFFFAOYSA-N
XLogP2.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794606
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride (CID 119727343) is 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCc2ccccc21)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is GFGYPJUOYGKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c25-19(18-13-24(23-22-18)16-8-10-20-11-9-16)21-12-15-6-3-5-14-4-1-2-7-17(14)15;/h1-2,4,7,13,15-16,20H,3,5-6,8-12H2,(H,21,25);1H.
What are the key properties of 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119727343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).