2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide

C18H26FN3O3 — CID 86930849

IUPAC2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCNC(=O)CN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-18(2,25-15-6-4-13(19)5-7-15)17(24)21-14-8-10-22(11-9-14)12-16(23)20-3/h4-7,14H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyVXIMPISTJSMYOU-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.31
Rot. Bonds6

About 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide

2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 86930849) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID86930849
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCNC(=O)CN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-18(2,25-15-6-4-13(19)5-7-15)17(24)21-14-8-10-22(11-9-14)12-16(23)20-3/h4-7,14H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyVXIMPISTJSMYOU-UHFFFAOYSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 86923726
2-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)sulfanylpiperidin-4-yl]-2-methylpropanamide
CID 142457823
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
2-[4-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 111991657
(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide
CID 75535664
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 171343772
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
tert-butyl N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55736834
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 111426344

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide (CID 86930849) is 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide is CNC(=O)CN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is VXIMPISTJSMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-18(2,25-15-6-4-13(19)5-7-15)17(24)21-14-8-10-22(11-9-14)12-16(23)20-3/h4-7,14H,8-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 351.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 86930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).