N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide

C16H21FN2O3 — CID 87005926

IUPACN-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(C)Oc2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O3/c1-11(22-15-7-3-5-13(17)9-15)16(21)19-8-4-6-14(10-19)18-12(2)20/h3,5,7,9,11,14H,4,6,8,10H2,1-2H3,(H,18,20)
InChIKeyWIKVKBUXQJFDKO-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds4

About N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide

N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide (PubChem CID 87005926) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
PubChem CID87005926
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C(C)Oc2cccc(F)c2)C1
InChIInChI=1S/C16H21FN2O3/c1-11(22-15-7-3-5-13(17)9-15)16(21)19-8-4-6-14(10-19)18-12(2)20/h3,5,7,9,11,14H,4,6,8,10H2,1-2H3,(H,18,20)
InChIKeyWIKVKBUXQJFDKO-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 125135252
3-[(3R)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 124695893
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
2-(3-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119539612
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
2-[[(4S)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399156
(2S)-2-(2-bromo-4-fluorophenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575164
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95322997
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide (CID 87005926) is N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C(C)Oc2cccc(F)c2)C1.
What is the InChIKey of N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide?
The InChIKey is WIKVKBUXQJFDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(22-15-7-3-5-13(17)9-15)16(21)19-8-4-6-14(10-19)18-12(2)20/h3,5,7,9,11,14H,4,6,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide?
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 87005926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).