1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one

C17H22FN3O2 — CID 124694483

IUPAC1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-11-9-12(19)6-8-20(11)17(23)14-10-13(4-5-15(14)18)21-7-2-3-16(21)22/h4-5,10-12H,2-3,6-9,19H2,1H3/t11-,12+/m0/s1
InChIKeyJSUYVCABMMHXQV-NWDGAFQWSA-N
MW319.38 g/mol
LogP1.90
Rot. Bonds2

About 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one

1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one (PubChem CID 124694483) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
PubChem CID124694483
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-11-9-12(19)6-8-20(11)17(23)14-10-13(4-5-15(14)18)21-7-2-3-16(21)22/h4-5,10-12H,2-3,6-9,19H2,1H3/t11-,12+/m0/s1
InChIKeyJSUYVCABMMHXQV-NWDGAFQWSA-N
XLogP1.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one (CID 124694483) is 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one is C[C@H]1C[C@H](N)CCN1C(=O)c1cc(N2CCCC2=O)ccc1F.
What is the InChIKey of 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one?
The InChIKey is JSUYVCABMMHXQV-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11-9-12(19)6-8-20(11)17(23)14-10-13(4-5-15(14)18)21-7-2-3-16(21)22/h4-5,10-12H,2-3,6-9,19H2,1H3/t11-,12+/m0/s1.
What are the key properties of 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one?
1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S,4R)-4-amino-2-methylpiperidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 124694483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).