N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide

C22H27FN2O3 — CID 42381909

IUPACN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccccc1OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN2O3/c1-24(22(26)16-28-21-12-6-5-11-20(21)27-2)18-9-7-13-25(15-18)14-17-8-3-4-10-19(17)23/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3/t18-/m0/s1
InChIKeyOJLDUJAZYCXHSS-SFHVURJKSA-N
MW386.47 g/mol
LogP3.34
Rot. Bonds7

About N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide (PubChem CID 42381909) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
PubChem CID42381909
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccccc1OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN2O3/c1-24(22(26)16-28-21-12-6-5-11-20(21)27-2)18-9-7-13-25(15-18)14-17-8-3-4-10-19(17)23/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3/t18-/m0/s1
InChIKeyOJLDUJAZYCXHSS-SFHVURJKSA-N
XLogP3.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
CID 42097680
2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
CID 45209442
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide (CID 42381909) is N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide is COc1ccccc1OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide?
The InChIKey is OJLDUJAZYCXHSS-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-24(22(26)16-28-21-12-6-5-11-20(21)27-2)18-9-7-13-25(15-18)14-17-8-3-4-10-19(17)23/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide?
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide has a molecular weight of 386.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 42381909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).