N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide

C21H25ClN2O2 — CID 24982334

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-16-7-8-19(22)20(13-16)26-15-21(25)23-18-9-11-24(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyGVQXOJZYXJOGBQ-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.81
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide (PubChem CID 24982334) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide
PubChem CID24982334
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-16-7-8-19(22)20(13-16)26-15-21(25)23-18-9-11-24(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyGVQXOJZYXJOGBQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide (CID 24982334) is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide is Cc1ccc(Cl)c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide?
The InChIKey is GVQXOJZYXJOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16-7-8-19(22)20(13-16)26-15-21(25)23-18-9-11-24(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide has a molecular weight of 372.90 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-5-methylphenoxy)acetamide is sourced from PubChem (CID 24982334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).