(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one

C17H23FN2O — CID 164636682

IUPAC(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one
SMILESCC1(C)NC(=O)CC[C@@H]1NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C17H23FN2O/c1-17(2)15(7-8-16(21)20-17)19-10-13-6-5-12(9-14(13)18)11-3-4-11/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyFGJIWWYLESQDSQ-HNNXBMFYSA-N
MW290.38 g/mol
LogP2.85
Rot. Bonds4

About (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one

(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one (PubChem CID 164636682) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one
PubChem CID164636682
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one
SMILESCC1(C)NC(=O)CC[C@@H]1NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C17H23FN2O/c1-17(2)15(7-8-16(21)20-17)19-10-13-6-5-12(9-14(13)18)11-3-4-11/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyFGJIWWYLESQDSQ-HNNXBMFYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one?
The IUPAC name of (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one (CID 164636682) is (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one.
What is the SMILES notation for (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one?
The canonical SMILES for (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one is CC1(C)NC(=O)CC[C@@H]1NCc1ccc(C2CC2)cc1F.
What is the InChIKey of (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one?
The InChIKey is FGJIWWYLESQDSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-17(2)15(7-8-16(21)20-17)19-10-13-6-5-12(9-14(13)18)11-3-4-11/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one?
(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one has a molecular weight of 290.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one is sourced from PubChem (CID 164636682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).