N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

C27H34N4O2 — CID 24792940

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c1-3-31-20-16-28-26(31)21-29(2)27(32)23-9-11-24(12-10-23)33-25-14-18-30(19-15-25)17-13-22-7-5-4-6-8-22/h4-12,16,20,25H,3,13-15,17-19,21H2,1-2H3
InChIKeyYKDIOQGZPRRANT-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.26
Rot. Bonds9

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24792940) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
PubChem CID24792940
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c1-3-31-20-16-28-26(31)21-29(2)27(32)23-9-11-24(12-10-23)33-25-14-18-30(19-15-25)17-13-22-7-5-4-6-8-22/h4-12,16,20,25H,3,13-15,17-19,21H2,1-2H3
InChIKeyYKDIOQGZPRRANT-UHFFFAOYSA-N
XLogP4.26
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (CID 24792940) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is CCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is YKDIOQGZPRRANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-3-31-20-16-28-26(31)21-29(2)27(32)23-9-11-24(12-10-23)33-25-14-18-30(19-15-25)17-13-22-7-5-4-6-8-22/h4-12,16,20,25H,3,13-15,17-19,21H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 446.60 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).