3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C21H23FN4O2 — CID 91925964

IUPAC3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(c1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C21H23FN4O2/c22-18-5-3-17(4-6-18)20(27)25-12-10-24(11-13-25)19-7-9-26(21(19)28)15-16-2-1-8-23-14-16/h1-6,8,14,19H,7,9-13,15H2
InChIKeyNDNBANZGYGKCMN-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.78
Rot. Bonds4

About 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 91925964) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID91925964
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C(c1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C21H23FN4O2/c22-18-5-3-17(4-6-18)20(27)25-12-10-24(11-13-25)19-7-9-26(21(19)28)15-16-2-1-8-23-14-16/h1-6,8,14,19H,7,9-13,15H2
InChIKeyNDNBANZGYGKCMN-UHFFFAOYSA-N
XLogP1.78
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25126154
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CID 168177312
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CID 168177329
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CID 1472874
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CID 44511587
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CID 667603
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 91925964) is 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C(c1ccc(F)cc1)N1CCN(C2CCN(Cc3cccnc3)C2=O)CC1.
What is the InChIKey of 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is NDNBANZGYGKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-18-5-3-17(4-6-18)20(27)25-12-10-24(11-13-25)19-7-9-26(21(19)28)15-16-2-1-8-23-14-16/h1-6,8,14,19H,7,9-13,15H2.
What are the key properties of 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 382.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).