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

C17H25FN4O — CID 126899863

IUPAC1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C17H25FN4O/c18-8-13-7-17(23)21(10-13)15-3-5-20(6-4-15)11-16-9-19-12-22(16)14-1-2-14/h9,12-15H,1-8,10-11H2
InChIKeyZGVMAWHZEZCNFM-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.00
Rot. Bonds5

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

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899863) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899863
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C17H25FN4O/c18-8-13-7-17(23)21(10-13)15-3-5-20(6-4-15)11-16-9-19-12-22(16)14-1-2-14/h9,12-15H,1-8,10-11H2
InChIKeyZGVMAWHZEZCNFM-UHFFFAOYSA-N
XLogP2.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899863) is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2cncn2C2CC2)CC1.
What is the InChIKey of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is ZGVMAWHZEZCNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c18-8-13-7-17(23)21(10-13)15-3-5-20(6-4-15)11-16-9-19-12-22(16)14-1-2-14/h9,12-15H,1-8,10-11H2.
What are the key properties of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).