5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride

C22H32ClN5O2 — CID 119787326

IUPAC5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCOC2CCCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16-21(25-26-27(16)18-10-13-23-14-11-18)22(28)24-12-5-15-29-20-9-4-7-17-6-2-3-8-19(17)20;/h2-3,6,8,18,20,23H,4-5,7,9-15H2,1H3,(H,24,28);1H
InChIKeyQFCRLJPNOUDFNW-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.15
Rot. Bonds7

About 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride

5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119787326) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride
PubChem CID119787326
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC Name5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCCOC2CCCc3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16-21(25-26-27(16)18-10-13-23-14-11-18)22(28)24-12-5-15-29-20-9-4-7-17-6-2-3-8-19(17)20;/h2-3,6,8,18,20,23H,4-5,7,9-15H2,1H3,(H,24,28);1H
InChIKeyQFCRLJPNOUDFNW-UHFFFAOYSA-N
XLogP3.15
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
1,3,5-trimethyl-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrazole-4-carboxamide
CID 129370018
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119738741
4-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 119787364
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
5-methyl-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124689134
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119747290
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride (CID 119787326) is 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCCOC2CCCc3ccccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is QFCRLJPNOUDFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.ClH/c1-16-21(25-26-27(16)18-10-13-23-14-11-18)22(28)24-12-5-15-29-20-9-4-7-17-6-2-3-8-19(17)20;/h2-3,6,8,18,20,23H,4-5,7,9-15H2,1H3,(H,24,28);1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride?
5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119787326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).