2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C22H30FN3O2 — CID 46153052

IUPAC2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1F)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C22H30FN3O2/c23-19-10-4-3-9-18(19)21(27)26-15-13-24(14-16-26)20(17-7-1-2-8-17)22(28)25-11-5-6-12-25/h3-4,9-10,17,20H,1-2,5-8,11-16H2
InChIKeyMVRJXMJUVSYJNC-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.76
Rot. Bonds4

About 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 46153052) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID46153052
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccccc1F)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C22H30FN3O2/c23-19-10-4-3-9-18(19)21(27)26-15-13-24(14-16-26)20(17-7-1-2-8-17)22(28)25-11-5-6-12-25/h3-4,9-10,17,20H,1-2,5-8,11-16H2
InChIKeyMVRJXMJUVSYJNC-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(2S)-1-{2-[(3-{4-[(3,5-difluorophenyl)carbonyl]piperazin-1-yl}-3-oxopropyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11604454
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
(4-Cyclobutylpiperazin-1-yl)-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methanone
CID 59218190
N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
(4-Benzoyl-piperazin-1-yl)-cyclopropyl-methanone
CID 776691
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 46153052) is 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(c1ccccc1F)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MVRJXMJUVSYJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c23-19-10-4-3-9-18(19)21(27)26-15-13-24(14-16-26)20(17-7-1-2-8-17)22(28)25-11-5-6-12-25/h3-4,9-10,17,20H,1-2,5-8,11-16H2.
What are the key properties of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 387.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 46153052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).