2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide

C21H26N2O2 — CID 46890862

IUPAC2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOCc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-15-17-5-4-6-18(13-17)19-7-2-3-8-20(19)21(24)23-14-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyUYSFAJNMXHXQPF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds6

About 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide

2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890862) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890862
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide
SMILESCOCc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C21H26N2O2/c1-25-15-17-5-4-6-18(13-17)19-7-2-3-8-20(19)21(24)23-14-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14-15H2,1H3,(H,23,24)
InChIKeyUYSFAJNMXHXQPF-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide (CID 46890862) is 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide is COCc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is UYSFAJNMXHXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-15-17-5-4-6-18(13-17)19-7-2-3-8-20(19)21(24)23-14-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14-15H2,1H3,(H,23,24).
What are the key properties of 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide?
2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).