1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C17H23FN4O — CID 126899897

IUPAC1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nccnc2C2CC2)CC1
InChIInChI=1S/C17H23FN4O/c18-10-12-9-15(23)22(11-12)14-3-7-21(8-4-14)17-16(13-1-2-13)19-5-6-20-17/h5-6,12-14H,1-4,7-11H2
InChIKeySUQFRTQARDMFTO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds4

About 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899897) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899897
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nccnc2C2CC2)CC1
InChIInChI=1S/C17H23FN4O/c18-10-12-9-15(23)22(11-12)14-3-7-21(8-4-14)17-16(13-1-2-13)19-5-6-20-17/h5-6,12-14H,1-4,7-11H2
InChIKeySUQFRTQARDMFTO-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899897) is 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nccnc2C2CC2)CC1.
What is the InChIKey of 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is SUQFRTQARDMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c18-10-12-9-15(23)22(11-12)14-3-7-21(8-4-14)17-16(13-1-2-13)19-5-6-20-17/h5-6,12-14H,1-4,7-11H2.
What are the key properties of 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).