(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C12H22FN3O — CID 126752723

IUPAC(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(F)C2)CC1
InChIInChI=1S/C12H22FN3O/c1-10(2)14-5-7-15(8-6-14)12(17)16-4-3-11(13)9-16/h10-11H,3-9H2,1-2H3
InChIKeyCCZXYOLEFSCRSF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.18
Rot. Bonds1

About (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 126752723) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID126752723
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(F)C2)CC1
InChIInChI=1S/C12H22FN3O/c1-10(2)14-5-7-15(8-6-14)12(17)16-4-3-11(13)9-16/h10-11H,3-9H2,1-2H3
InChIKeyCCZXYOLEFSCRSF-UHFFFAOYSA-N
XLogP1.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 126752723) is (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)N2CCC(F)C2)CC1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CCZXYOLEFSCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O/c1-10(2)14-5-7-15(8-6-14)12(17)16-4-3-11(13)9-16/h10-11H,3-9H2,1-2H3.
What are the key properties of (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126752723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).