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

C24H29FN4O3 — CID 53098500

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C24H29FN4O3/c1-32-22-4-2-3-19(15-22)16-26-23(30)27-11-9-21(10-12-27)29-14-13-28(24(29)31)17-18-5-7-20(25)8-6-18/h2-8,15,21H,9-14,16-17H2,1H3,(H,26,30)
InChIKeyKOORISNEXVTWGO-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.45
Rot. Bonds6

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

4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 53098500) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID53098500
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C24H29FN4O3/c1-32-22-4-2-3-19(15-22)16-26-23(30)27-11-9-21(10-12-27)29-14-13-28(24(29)31)17-18-5-7-20(25)8-6-18/h2-8,15,21H,9-14,16-17H2,1H3,(H,26,30)
InChIKeyKOORISNEXVTWGO-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 53098500) is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is KOORISNEXVTWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-32-22-4-2-3-19(15-22)16-26-23(30)27-11-9-21(10-12-27)29-14-13-28(24(29)31)17-18-5-7-20(25)8-6-18/h2-8,15,21H,9-14,16-17H2,1H3,(H,26,30).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 53098500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).