3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C26H27ClN2O2 — CID 72710606

IUPAC3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C26H27ClN2O2/c27-23-15-22(16-25(17-23)31-19-21-7-3-1-4-8-21)26(30)28-24-11-9-20(10-12-24)18-29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18-19H2,(H,28,30)
InChIKeySLYSJLOUTUFCSX-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.16
Rot. Bonds7

About 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 72710606) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID72710606
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C26H27ClN2O2/c27-23-15-22(16-25(17-23)31-19-21-7-3-1-4-8-21)26(30)28-24-11-9-20(10-12-24)18-29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18-19H2,(H,28,30)
InChIKeySLYSJLOUTUFCSX-UHFFFAOYSA-N
XLogP6.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 72710606) is 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is SLYSJLOUTUFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-23-15-22(16-25(17-23)31-19-21-7-3-1-4-8-21)26(30)28-24-11-9-20(10-12-24)18-29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18-19H2,(H,28,30).
What are the key properties of 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 72710606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).