1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H24FN5O — CID 72908264

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN5O/c21-17-6-4-16(5-7-17)18-3-1-10-26(18)19(27)15-24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2,4-9,18H,1,3,10-15H2
InChIKeyFRQVMSLQGINXMK-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 72908264) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID72908264
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H24FN5O/c21-17-6-4-16(5-7-17)18-3-1-10-26(18)19(27)15-24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2,4-9,18H,1,3,10-15H2
InChIKeyFRQVMSLQGINXMK-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41143542
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 112841360
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
1-[2-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97128985
6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 166358142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 72908264) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FRQVMSLQGINXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-17-6-4-16(5-7-17)18-3-1-10-26(18)19(27)15-24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2,4-9,18H,1,3,10-15H2.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 369.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 72908264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).