N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide

C18H27FN2O3 — CID 110884207

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N2CCCC(CO)C2)cc1F
InChIInChI=1S/C18H27FN2O3/c1-13(21-8-4-5-15(11-21)12-22)18(23)20(2)10-14-6-7-17(24-3)16(19)9-14/h6-7,9,13,15,22H,4-5,8,10-12H2,1-3H3
InChIKeyCYGQUGDBTOUNSE-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.89
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide (PubChem CID 110884207) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
PubChem CID110884207
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)N2CCCC(CO)C2)cc1F
InChIInChI=1S/C18H27FN2O3/c1-13(21-8-4-5-15(11-21)12-22)18(23)20(2)10-14-6-7-17(24-3)16(19)9-14/h6-7,9,13,15,22H,4-5,8,10-12H2,1-3H3
InChIKeyCYGQUGDBTOUNSE-UHFFFAOYSA-N
XLogP1.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918143
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
CID 86959410
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]propanamide
CID 86879216
(2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 9451586
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119919588
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795729
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 111543826

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide (CID 110884207) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)N2CCCC(CO)C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
The InChIKey is CYGQUGDBTOUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-13(21-8-4-5-15(11-21)12-22)18(23)20(2)10-14-6-7-17(24-3)16(19)9-14/h6-7,9,13,15,22H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide has a molecular weight of 338.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 110884207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).