N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide

C30H33FN2O4 — CID 19689885

IUPACN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1
InChIInChI=1S/C30H33FN2O4/c1-36-21-22-7-9-25(10-8-22)30(35)33(27-5-3-4-6-28(27)37-2)20-19-32-17-15-24(16-18-32)29(34)23-11-13-26(31)14-12-23/h3-14,24H,15-21H2,1-2H3
InChIKeyWIHAORXETRLRPH-UHFFFAOYSA-N
MW504.60 g/mol
LogP5.22
Rot. Bonds10

About N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 19689885) has the molecular formula C30H33FN2O4 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide
PubChem CID19689885
Molecular FormulaC30H33FN2O4
Molecular Weight504.60 g/mol
Exact Mass504.24
IUPAC NameN-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1
InChIInChI=1S/C30H33FN2O4/c1-36-21-22-7-9-25(10-8-22)30(35)33(27-5-3-4-6-28(27)37-2)20-19-32-17-15-24(16-18-32)29(34)23-11-13-26(31)14-12-23/h3-14,24H,15-21H2,1-2H3
InChIKeyWIHAORXETRLRPH-UHFFFAOYSA-N
XLogP5.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide (CID 19689885) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide is COCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1.
What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is WIHAORXETRLRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O4/c1-36-21-22-7-9-25(10-8-22)30(35)33(27-5-3-4-6-28(27)37-2)20-19-32-17-15-24(16-18-32)29(34)23-11-13-26(31)14-12-23/h3-14,24H,15-21H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide?
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 504.60 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(methoxymethyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 19689885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).