N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide

C15H21FN2O2 — CID 171334193

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESCOc1ccc(CN2CCCC(NC(C)=O)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-11(19)17-13-4-3-7-18(10-13)9-12-5-6-15(20-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyKCYCPYUIRJDUQJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.93
Rot. Bonds4

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 171334193) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID171334193
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESCOc1ccc(CN2CCCC(NC(C)=O)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-11(19)17-13-4-3-7-18(10-13)9-12-5-6-15(20-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyKCYCPYUIRJDUQJ-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 56785606
N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
CID 77080451
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide (CID 171334193) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide is COc1ccc(CN2CCCC(NC(C)=O)C2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is KCYCPYUIRJDUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(19)17-13-4-3-7-18(10-13)9-12-5-6-15(20-2)14(16)8-12/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 171334193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).