N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide

C16H23FN2O — CID 106626297

IUPACN-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
SMILESCCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-2-19(12-15-8-3-4-9-18-15)16(20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyWDXURSQCUFVIRO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide

N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide (PubChem CID 106626297) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
PubChem CID106626297
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
SMILESCCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-2-19(12-15-8-3-4-9-18-15)16(20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyWDXURSQCUFVIRO-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide (CID 106626297) is N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide is CCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The InChIKey is WDXURSQCUFVIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-19(12-15-8-3-4-9-18-15)16(20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide?
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106626297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).