4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide

C22H27FN2O2 — CID 99974557

IUPAC4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCN1CCC[C@H](CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C22H27FN2O2/c1-24-13-5-6-17(14-24)15-25(2)22(26)18-9-11-20(12-10-18)27-16-19-7-3-4-8-21(19)23/h3-4,7-12,17H,5-6,13-16H2,1-2H3/t17-/m0/s1
InChIKeyDHKVGZQTQZMXPQ-KRWDZBQOSA-N
MW370.47 g/mol
LogP3.82
Rot. Bonds6

About 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide

4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide (PubChem CID 99974557) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
PubChem CID99974557
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCN1CCC[C@H](CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C22H27FN2O2/c1-24-13-5-6-17(14-24)15-25(2)22(26)18-9-11-20(12-10-18)27-16-19-7-3-4-8-21(19)23/h3-4,7-12,17H,5-6,13-16H2,1-2H3/t17-/m0/s1
InChIKeyDHKVGZQTQZMXPQ-KRWDZBQOSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide (CID 99974557) is 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide is CN1CCC[C@H](CN(C)C(=O)c2ccc(OCc3ccccc3F)cc2)C1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
The InChIKey is DHKVGZQTQZMXPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-24-13-5-6-17(14-24)15-25(2)22(26)18-9-11-20(12-10-18)27-16-19-7-3-4-8-21(19)23/h3-4,7-12,17H,5-6,13-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide?
4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 99974557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).