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

C22H31FN4O2 — CID 3239285

IUPAC1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H31FN4O2/c23-19-7-3-4-8-20(19)26-13-11-25(12-14-26)10-9-24-22(29)17-15-21(28)27(16-17)18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2,(H,24,29)
InChIKeyFBDDHRXWZLLIOY-UHFFFAOYSA-N
MW402.51 g/mol
LogP1.86
Rot. Bonds6

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

1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3239285) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3239285
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC Name1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H31FN4O2/c23-19-7-3-4-8-20(19)26-13-11-25(12-14-26)10-9-24-22(29)17-15-21(28)27(16-17)18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2,(H,24,29)
InChIKeyFBDDHRXWZLLIOY-UHFFFAOYSA-N
XLogP1.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 5307425
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
1-cyclopentyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86929747
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166541825
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3239285) is 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCN(c2ccccc2F)CC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FBDDHRXWZLLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/c23-19-7-3-4-8-20(19)26-13-11-25(12-14-26)10-9-24-22(29)17-15-21(28)27(16-17)18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16H2,(H,24,29).
What are the key properties of 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3239285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).