3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide

C19H21ClN2O2 — CID 3343038

IUPAC3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-9-18(10-8-17)24-14-15-5-4-6-16(13-15)19(23)21-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyWFZFRDAPIDGGDH-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.05
Rot. Bonds5

About 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide

3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide (PubChem CID 3343038) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide
PubChem CID3343038
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-9-18(10-8-17)24-14-15-5-4-6-16(13-15)19(23)21-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyWFZFRDAPIDGGDH-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide (CID 3343038) is 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1cccc(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide?
The InChIKey is WFZFRDAPIDGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-7-9-18(10-8-17)24-14-15-5-4-6-16(13-15)19(23)21-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide?
3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 3343038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).