1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide

C24H35FN4O2 — CID 3238956

IUPAC1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C24H35FN4O2/c25-20-9-4-5-10-21(20)28-17-15-27(16-18-28)14-6-13-26-24(31)22-11-12-23(30)29(22)19-7-2-1-3-8-19/h4-5,9-10,19,22H,1-3,6-8,11-18H2,(H,26,31)
InChIKeyQISVYEFPPSJAGV-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.78
Rot. Bonds7

About 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3238956) has the molecular formula C24H35FN4O2 and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3238956
Molecular FormulaC24H35FN4O2
Molecular Weight430.57 g/mol
Exact Mass430.27
IUPAC Name1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C24H35FN4O2/c25-20-9-4-5-10-21(20)28-17-15-27(16-18-28)14-6-13-26-24(31)22-11-12-23(30)29(22)19-7-2-1-3-8-19/h4-5,9-10,19,22H,1-3,6-8,11-18H2,(H,26,31)
InChIKeyQISVYEFPPSJAGV-UHFFFAOYSA-N
XLogP2.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (CID 3238956) is 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QISVYEFPPSJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2/c25-20-9-4-5-10-21(20)28-17-15-27(16-18-28)14-6-13-26-24(31)22-11-12-23(30)29(22)19-7-2-1-3-8-19/h4-5,9-10,19,22H,1-3,6-8,11-18H2,(H,26,31).
What are the key properties of 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3238956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).