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

C21H31FN4O2 — CID 53009785

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(2)7-10-23-20(27)24-11-8-19(9-12-24)26-14-13-25(21(26)28)15-17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,27)
InChIKeyWRXRPHRJRACODD-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.28
Rot. Bonds6

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

4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 53009785) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID53009785
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C21H31FN4O2/c1-16(2)7-10-23-20(27)24-11-8-19(9-12-24)26-14-13-25(21(26)28)15-17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,27)
InChIKeyWRXRPHRJRACODD-UHFFFAOYSA-N
XLogP3.28
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide (CID 53009785) is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is WRXRPHRJRACODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-16(2)7-10-23-20(27)24-11-8-19(9-12-24)26-14-13-25(21(26)28)15-17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,27).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 53009785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).