N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide

C20H23ClN2O — CID 10712370

IUPACN-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
InChIKeyBZONSFYUVVDXHG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.66
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 10712370) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide
PubChem CID10712370
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24)
InChIKeyBZONSFYUVVDXHG-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide (CID 10712370) is N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is BZONSFYUVVDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-18-8-4-7-17(13-18)14-20(24)22-19-9-11-23(12-10-19)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 342.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 10712370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).