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

C23H33FN4O2 — CID 5307425

IUPAC1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCC1
InChIInChI=1S/C23H33FN4O2/c24-19-8-3-4-9-20(19)27-16-14-26(15-17-27)13-5-12-25-23(30)21-10-11-22(29)28(21)18-6-1-2-7-18/h3-4,8-9,18,21H,1-2,5-7,10-17H2,(H,25,30)
InChIKeyMJPMHRZGIOIVLD-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.39
Rot. Bonds7

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

1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 5307425) has the molecular formula C23H33FN4O2 and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID5307425
Molecular FormulaC23H33FN4O2
Molecular Weight416.54 g/mol
Exact Mass416.26
IUPAC Name1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCC1
InChIInChI=1S/C23H33FN4O2/c24-19-8-3-4-9-20(19)27-16-14-26(15-17-27)13-5-12-25-23(30)21-10-11-22(29)28(21)18-6-1-2-7-18/h3-4,8-9,18,21H,1-2,5-7,10-17H2,(H,25,30)
InChIKeyMJPMHRZGIOIVLD-UHFFFAOYSA-N
XLogP2.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.39
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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Related Compounds

1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285
2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
CID 166307882
(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 92881244
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
1-benzoyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 75051240
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide (CID 5307425) is 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MJPMHRZGIOIVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O2/c24-19-8-3-4-9-20(19)27-16-14-26(15-17-27)13-5-12-25-23(30)21-10-11-22(29)28(21)18-6-1-2-7-18/h3-4,8-9,18,21H,1-2,5-7,10-17H2,(H,25,30).
What are the key properties of 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide?
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5307425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).