1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide

C23H31FN4O4 — CID 4903928

IUPAC1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H31FN4O4/c1-14(2)11-19(23(32)27-9-7-15(8-10-27)21(25)30)26-22(31)16-12-20(29)28(13-16)18-5-3-17(24)4-6-18/h3-6,14-16,19H,7-13H2,1-2H3,(H2,25,30)(H,26,31)
InChIKeyHGTJIEWQKQIMTM-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.43
Rot. Bonds7

About 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide

1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide (PubChem CID 4903928) has the molecular formula C23H31FN4O4 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
PubChem CID4903928
Molecular FormulaC23H31FN4O4
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H31FN4O4/c1-14(2)11-19(23(32)27-9-7-15(8-10-27)21(25)30)26-22(31)16-12-20(29)28(13-16)18-5-3-17(24)4-6-18/h3-6,14-16,19H,7-13H2,1-2H3,(H2,25,30)(H,26,31)
InChIKeyHGTJIEWQKQIMTM-UHFFFAOYSA-N
XLogP1.43
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7621365
1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 39336068
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40893129
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(2R)-2-[[(2R)-2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoic acid
CID 133269506
N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42649258
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
(2R)-2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363163
(2S)-2-[[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 7631566
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]butanedioic acid
CID 108791082
ethyl 4-[2-oxo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 4903125

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide (CID 4903928) is 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide is CC(C)CC(NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?
The InChIKey is HGTJIEWQKQIMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O4/c1-14(2)11-19(23(32)27-9-7-15(8-10-27)21(25)30)26-22(31)16-12-20(29)28(13-16)18-5-3-17(24)4-6-18/h3-6,14-16,19H,7-13H2,1-2H3,(H2,25,30)(H,26,31).
What are the key properties of 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide?
1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 4903928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).