1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide

C19H27N5O — CID 86991505

IUPAC1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCCN3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H27N5O/c1-15-6-8-17(9-7-15)24-14-18(21-22-24)19(25)20-10-4-12-23-11-3-5-16(2)13-23/h6-9,14,16H,3-5,10-13H2,1-2H3,(H,20,25)
InChIKeyAOXQRFHGLSAHFH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide (PubChem CID 86991505) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
PubChem CID86991505
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCCN3CCCC(C)C3)nn2)cc1
InChIInChI=1S/C19H27N5O/c1-15-6-8-17(9-7-15)24-14-18(21-22-24)19(25)20-10-4-12-23-11-3-5-16(2)13-23/h6-9,14,16H,3-5,10-13H2,1-2H3,(H,20,25)
InChIKeyAOXQRFHGLSAHFH-UHFFFAOYSA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide
CID 86991612
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55717870
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide (CID 86991505) is 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCCN3CCCC(C)C3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide?
The InChIKey is AOXQRFHGLSAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-6-8-17(9-7-15)24-14-18(21-22-24)19(25)20-10-4-12-23-11-3-5-16(2)13-23/h6-9,14,16H,3-5,10-13H2,1-2H3,(H,20,25).
What are the key properties of 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]triazole-4-carboxamide is sourced from PubChem (CID 86991505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).