1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide

C18H25N5O — CID 86991612

IUPAC1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCN3CCCCC3C)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-14-6-8-16(9-7-14)23-13-17(20-21-23)18(24)19-10-12-22-11-4-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,24)
InChIKeyNCIRYXLBKKVVIQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.18
Rot. Bonds5

About 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide (PubChem CID 86991612) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
PubChem CID86991612
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCN3CCCCC3C)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-14-6-8-16(9-7-14)23-13-17(20-21-23)18(24)19-10-12-22-11-4-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,24)
InChIKeyNCIRYXLBKKVVIQ-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
CID 86991505
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 94605143
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71622302
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide (CID 86991612) is 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCN3CCCCC3C)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide?
The InChIKey is NCIRYXLBKKVVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-6-8-16(9-7-14)23-13-17(20-21-23)18(24)19-10-12-22-11-4-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,19,24).
What are the key properties of 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 86991612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).