[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride

C17H24ClN5O — CID 119490412

IUPAC[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2nnn(-c3cccc(C)c3)c2C)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-6-4-8-15(10-12)22-13(2)16(19-20-22)17(23)21-9-5-7-14(11-21)18-3;/h4,6,8,10,14,18H,5,7,9,11H2,1-3H3;1H
InChIKeySFWFZVBVIFLVNU-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.13
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride (PubChem CID 119490412) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
PubChem CID119490412
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2nnn(-c3cccc(C)c3)c2C)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-6-4-8-15(10-12)22-13(2)16(19-20-22)17(23)21-9-5-7-14(11-21)18-3;/h4,6,8,10,14,18H,5,7,9,11H2,1-3H3;1H
InChIKeySFWFZVBVIFLVNU-UHFFFAOYSA-N
XLogP2.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493022
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119489808
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541
1-[2-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]ethanone
CID 167977732
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[3-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]methanone
CID 119397603
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120750171
N-cyclohexyl-N-methyl-4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazine-1-sulfonamide
CID 55885108

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride (CID 119490412) is [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2nnn(-c3cccc(C)c3)c2C)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride?
The InChIKey is SFWFZVBVIFLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-12-6-4-8-15(10-12)22-13(2)16(19-20-22)17(23)21-9-5-7-14(11-21)18-3;/h4,6,8,10,14,18H,5,7,9,11H2,1-3H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119490412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).