1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide

C20H28ClN5O2 — CID 42190395

IUPAC1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1
InChIInChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyQUYKSOYIVXRZEV-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.41
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide (PubChem CID 42190395) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
PubChem CID42190395
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1
InChIInChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyQUYKSOYIVXRZEV-UHFFFAOYSA-N
XLogP2.41
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide (CID 42190395) is 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide is COCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is QUYKSOYIVXRZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 42190395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).