N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide

C16H23FN2O3 — CID 118287479

IUPACN-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
SMILESCOCO[C@@H]1CN(Cc2ccccc2)C[C@H](NC(C)=O)[C@@H]1F
InChIInChI=1S/C16H23FN2O3/c1-12(20)18-14-9-19(8-13-6-4-3-5-7-13)10-15(16(14)17)22-11-21-2/h3-7,14-16H,8-11H2,1-2H3,(H,18,20)/t14-,15+,16-/m0/s1
InChIKeyNQFPZHUYEFNOIE-XHSDSOJGSA-N
MW310.37 g/mol
LogP1.33
Rot. Bonds6

About N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide

N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide (PubChem CID 118287479) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
PubChem CID118287479
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide
SMILESCOCO[C@@H]1CN(Cc2ccccc2)C[C@H](NC(C)=O)[C@@H]1F
InChIInChI=1S/C16H23FN2O3/c1-12(20)18-14-9-19(8-13-6-4-3-5-7-13)10-15(16(14)17)22-11-21-2/h3-7,14-16H,8-11H2,1-2H3,(H,18,20)/t14-,15+,16-/m0/s1
InChIKeyNQFPZHUYEFNOIE-XHSDSOJGSA-N
XLogP1.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R,5R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-fluoropiperidin-3-yl]acetamide
CID 90005050
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
(3R,4R)-1-benzyl-3-fluoro-4-methoxypyrrolidine
CID 140566210
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
2-[(2R,3R,4R)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidin-2-yl]-N-hydroxyacetamide
CID 11360195
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
1-[(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 91922840

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide (CID 118287479) is N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide is COCO[C@@H]1CN(Cc2ccccc2)C[C@H](NC(C)=O)[C@@H]1F.
What is the InChIKey of N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide?
The InChIKey is NQFPZHUYEFNOIE-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12(20)18-14-9-19(8-13-6-4-3-5-7-13)10-15(16(14)17)22-11-21-2/h3-7,14-16H,8-11H2,1-2H3,(H,18,20)/t14-,15+,16-/m0/s1.
What are the key properties of N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide?
N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide has a molecular weight of 310.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S,5R)-1-benzyl-4-fluoro-5-(methoxymethoxy)piperidin-3-yl]acetamide is sourced from PubChem (CID 118287479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).