2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide

C19H21ClN2O2 — CID 119388320

IUPAC2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)19(23)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)
InChIKeyOAKMXXIQPDJPRY-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.40
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide

2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide (PubChem CID 119388320) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
PubChem CID119388320
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)19(23)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)
InChIKeyOAKMXXIQPDJPRY-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide (CID 119388320) is 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide?
The InChIKey is OAKMXXIQPDJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)19(23)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide?
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119388320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).