3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide

C18H26FN3O2 — CID 112505015

IUPAC3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(F)c2)(N2CCOCC2)CC1
InChIInChI=1S/C18H26FN3O2/c1-21-7-5-18(6-8-21,22-9-11-24-12-10-22)14-20-17(23)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3,(H,20,23)
InChIKeyBFXOHELUOXXSRM-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.35
Rot. Bonds4

About 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide

3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 112505015) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID112505015
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(F)c2)(N2CCOCC2)CC1
InChIInChI=1S/C18H26FN3O2/c1-21-7-5-18(6-8-21,22-9-11-24-12-10-22)14-20-17(23)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3,(H,20,23)
InChIKeyBFXOHELUOXXSRM-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
CID 71998961
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide (CID 112505015) is 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2cccc(F)c2)(N2CCOCC2)CC1.
What is the InChIKey of 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is BFXOHELUOXXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-21-7-5-18(6-8-21,22-9-11-24-12-10-22)14-20-17(23)15-3-2-4-16(19)13-15/h2-4,13H,5-12,14H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide?
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 112505015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).