N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide

C24H30F2N2O2 — CID 11165954

IUPACN-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N2O2/c1-2-28(24(30)17-18-3-7-20(25)8-4-18)22-11-14-27(15-12-22)16-13-23(29)19-5-9-21(26)10-6-19/h3-10,22-23,29H,2,11-17H2,1H3
InChIKeyKMBHCBJTFQKEGO-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide

N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide (PubChem CID 11165954) has the molecular formula C24H30F2N2O2 and a molecular weight of 416.51 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide
PubChem CID11165954
Molecular FormulaC24H30F2N2O2
Molecular Weight416.51 g/mol
Exact Mass416.23
IUPAC NameN-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide
SMILESCCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N2O2/c1-2-28(24(30)17-18-3-7-20(25)8-4-18)22-11-14-27(15-12-22)16-13-23(29)19-5-9-21(26)10-6-19/h3-10,22-23,29H,2,11-17H2,1H3
InChIKeyKMBHCBJTFQKEGO-UHFFFAOYSA-N
XLogP3.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide (CID 11165954) is N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide is CCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide?
The InChIKey is KMBHCBJTFQKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c1-2-28(24(30)17-18-3-7-20(25)8-4-18)22-11-14-27(15-12-22)16-13-23(29)19-5-9-21(26)10-6-19/h3-10,22-23,29H,2,11-17H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide?
N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).