2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide

C19H27N5O3 — CID 120573390

IUPAC2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCOCCOc1ccc(-n2nc(C)c(C(=O)NC3CCCNC3C)n2)cc1
InChIInChI=1S/C19H27N5O3/c1-13-17(5-4-10-20-13)21-19(25)18-14(2)22-24(23-18)15-6-8-16(9-7-15)27-12-11-26-3/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyIHLRNLQTAMPOJC-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.47
Rot. Bonds7

About 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide

2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide (PubChem CID 120573390) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
PubChem CID120573390
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCOCCOc1ccc(-n2nc(C)c(C(=O)NC3CCCNC3C)n2)cc1
InChIInChI=1S/C19H27N5O3/c1-13-17(5-4-10-20-13)21-19(25)18-14(2)22-24(23-18)15-6-8-16(9-7-15)27-12-11-26-3/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyIHLRNLQTAMPOJC-UHFFFAOYSA-N
XLogP1.47
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119441481
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
3-(4-methoxyphenyl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 120577382
2-(4-ethoxyphenyl)-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120574492
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
7-methoxy-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide;hydrochloride
CID 120573600
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide (CID 120573390) is 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide is COCCOc1ccc(-n2nc(C)c(C(=O)NC3CCCNC3C)n2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is IHLRNLQTAMPOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-17(5-4-10-20-13)21-19(25)18-14(2)22-24(23-18)15-6-8-16(9-7-15)27-12-11-26-3/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,21,25).
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 120573390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).