5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide

C19H22FN3O2 — CID 124952867

IUPAC5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(19(24)16-12-14(20)8-9-17(16)25-2)15-6-5-11-23(13-15)18-7-3-4-10-21-18/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyDRQMEWGEOJIFDM-HNNXBMFYSA-N
MW343.40 g/mol
LogP2.97
Rot. Bonds4

About 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide

5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide (PubChem CID 124952867) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
PubChem CID124952867
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(19(24)16-12-14(20)8-9-17(16)25-2)15-6-5-11-23(13-15)18-7-3-4-10-21-18/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyDRQMEWGEOJIFDM-HNNXBMFYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide (CID 124952867) is 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide is COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide?
The InChIKey is DRQMEWGEOJIFDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(19(24)16-12-14(20)8-9-17(16)25-2)15-6-5-11-23(13-15)18-7-3-4-10-21-18/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide?
5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 124952867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).