N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

C24H29FN4O3 — CID 53009783

IUPACN-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H29FN4O3/c1-2-32-22-9-7-20(8-10-22)26-23(30)27-13-11-21(12-14-27)29-16-15-28(24(29)31)17-18-3-5-19(25)6-4-18/h3-10,21H,2,11-17H2,1H3,(H,26,30)
InChIKeyNYBDLJGWCKIWOI-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.16
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53009783) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53009783
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H29FN4O3/c1-2-32-22-9-7-20(8-10-22)26-23(30)27-13-11-21(12-14-27)29-16-15-28(24(29)31)17-18-3-5-19(25)6-4-18/h3-10,21H,2,11-17H2,1H3,(H,26,30)
InChIKeyNYBDLJGWCKIWOI-UHFFFAOYSA-N
XLogP4.16
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53009783) is N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is NYBDLJGWCKIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-2-32-22-9-7-20(8-10-22)26-23(30)27-13-11-21(12-14-27)29-16-15-28(24(29)31)17-18-3-5-19(25)6-4-18/h3-10,21H,2,11-17H2,1H3,(H,26,30).
What are the key properties of N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53009783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).