2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide

C19H25FN2O2 — CID 131915595

IUPAC2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
SMILESCCC#CCN1CCCC(CNC(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C19H25FN2O2/c1-2-3-4-10-22-11-6-7-16(14-22)13-21-19(23)15-24-18-9-5-8-17(20)12-18/h5,8-9,12,16H,2,6-7,10-11,13-15H2,1H3,(H,21,23)
InChIKeyNUCWCVUNCVAMJC-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.45
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide

2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide (PubChem CID 131915595) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
PubChem CID131915595
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
SMILESCCC#CCN1CCCC(CNC(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C19H25FN2O2/c1-2-3-4-10-22-11-6-7-16(14-22)13-21-19(23)15-24-18-9-5-8-17(20)12-18/h5,8-9,12,16H,2,6-7,10-11,13-15H2,1H3,(H,21,23)
InChIKeyNUCWCVUNCVAMJC-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 2382552
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111681721
N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
CID 95197793
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124756359
2-[(3R)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124756360
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42362575

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide (CID 131915595) is 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide is CCC#CCN1CCCC(CNC(=O)COc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide?
The InChIKey is NUCWCVUNCVAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-2-3-4-10-22-11-6-7-16(14-22)13-21-19(23)15-24-18-9-5-8-17(20)12-18/h5,8-9,12,16H,2,6-7,10-11,13-15H2,1H3,(H,21,23).
What are the key properties of 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide?
2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide has a molecular weight of 332.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 131915595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).