3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide

C21H32FN3O2 — CID 110303417

IUPAC3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C21H32FN3O2/c1-17(15-18-3-5-19(22)6-4-18)20(26)23-16-21(7-9-24(2)10-8-21)25-11-13-27-14-12-25/h3-6,17H,7-16H2,1-2H3,(H,23,26)
InChIKeyQAZZEBIPIZAVNZ-UHFFFAOYSA-N
MW377.50 g/mol
LogP1.92
Rot. Bonds6

About 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide

3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 110303417) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
PubChem CID110303417
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1
InChIInChI=1S/C21H32FN3O2/c1-17(15-18-3-5-19(22)6-4-18)20(26)23-16-21(7-9-24(2)10-8-21)25-11-13-27-14-12-25/h3-6,17H,7-16H2,1-2H3,(H,23,26)
InChIKeyQAZZEBIPIZAVNZ-UHFFFAOYSA-N
XLogP1.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
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3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
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N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
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3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
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3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
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3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide (CID 110303417) is 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide is CC(Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is QAZZEBIPIZAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-17(15-18-3-5-19(22)6-4-18)20(26)23-16-21(7-9-24(2)10-8-21)25-11-13-27-14-12-25/h3-6,17H,7-16H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide?
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 377.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 110303417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).