2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H27FN2O2 — CID 60502256

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(Cc2cccc(F)c2)CC1)NCC1CCCO1
InChIInChI=1S/C19H27FN2O2/c20-17-4-1-3-16(12-17)11-15-6-8-22(9-7-15)14-19(23)21-13-18-5-2-10-24-18/h1,3-4,12,15,18H,2,5-11,13-14H2,(H,21,23)
InChIKeyWXSUYESYECAQFB-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.38
Rot. Bonds6

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 60502256) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID60502256
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CCC(Cc2cccc(F)c2)CC1)NCC1CCCO1
InChIInChI=1S/C19H27FN2O2/c20-17-4-1-3-16(12-17)11-15-6-8-22(9-7-15)14-19(23)21-13-18-5-2-10-24-18/h1,3-4,12,15,18H,2,5-11,13-14H2,(H,21,23)
InChIKeyWXSUYESYECAQFB-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cambridge id 6878150
CID 2917394
N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
CID 4314957
2-Morpholin-4-yl-2-oxo-N-(1-phenyl-cyclopentylmethyl)-acetamide
CID 2296431
N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 16658884
N-[3-(morpholin-4-yl)propyl]-N'-(2-phenylethyl)ethanediamide
CID 3120489
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
2-morpholin-4-yl-N-(2-phenylethyl)acetamide
CID 6470566
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
trimer I
CID 11456556
2-(morpholin-4-yl)-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 2908498
2-morpholin-4-yl-N-(4-phenylbutan-2-yl)acetamide
CID 2982786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 60502256) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CCC(Cc2cccc(F)c2)CC1)NCC1CCCO1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WXSUYESYECAQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-4-1-3-16(12-17)11-15-6-8-22(9-7-15)14-19(23)21-13-18-5-2-10-24-18/h1,3-4,12,15,18H,2,5-11,13-14H2,(H,21,23).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 60502256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).