3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C27H30N2O3 — CID 998488

IUPAC3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-12-14-26(15-13-25)32-20-22-6-5-7-23(18-22)27(30)28-24-10-8-21(9-11-24)19-29-16-3-2-4-17-29/h5-15,18H,2-4,16-17,19-20H2,1H3,(H,28,30)
InChIKeyBLOGWUGUDOCQQS-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.51
Rot. Bonds8

About 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 998488) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID998488
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-12-14-26(15-13-25)32-20-22-6-5-7-23(18-22)27(30)28-24-10-8-21(9-11-24)19-29-16-3-2-4-17-29/h5-15,18H,2-4,16-17,19-20H2,1H3,(H,28,30)
InChIKeyBLOGWUGUDOCQQS-UHFFFAOYSA-N
XLogP5.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 998488) is 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is COc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is BLOGWUGUDOCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-31-25-12-14-26(15-13-25)32-20-22-6-5-7-23(18-22)27(30)28-24-10-8-21(9-11-24)19-29-16-3-2-4-17-29/h5-15,18H,2-4,16-17,19-20H2,1H3,(H,28,30).
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 998488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).