1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide

C19H24ClN5O3 — CID 45250926

IUPAC1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C19H24ClN5O3/c1-28-10-8-21-19(27)17-13-25(23-22-17)16-3-2-9-24(12-16)18(26)11-14-4-6-15(20)7-5-14/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,27)
InChIKeyXNOYWJWQWUSIFA-UHFFFAOYSA-N
MW405.89 g/mol
LogP1.71
Rot. Bonds7

About 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide

1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 45250926) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID45250926
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C19H24ClN5O3/c1-28-10-8-21-19(27)17-13-25(23-22-17)16-3-2-9-24(12-16)18(26)11-14-4-6-15(20)7-5-14/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,27)
InChIKeyXNOYWJWQWUSIFA-UHFFFAOYSA-N
XLogP1.71
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26398605
1-[(3S)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 25290420
1-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45233837
1-[(3S)-1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26338863
1-[1-(3-cyclohexylpropanoyl)piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45239626
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
CID 29258547
1-[(3R)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42348901
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
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
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide (CID 45250926) is 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide is COCCNC(=O)c1cn(C2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)nn1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is XNOYWJWQWUSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-28-10-8-21-19(27)17-13-25(23-22-17)16-3-2-9-24(12-16)18(26)11-14-4-6-15(20)7-5-14/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,27).
What are the key properties of 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide?
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 45250926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).