N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide

C18H27FN2O — CID 133202306

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-2-17-6-3-4-12-21(17)13-5-11-20-18(22)14-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyVRUUSLOTIDYJHN-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.14
Rot. Bonds7

About N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide (PubChem CID 133202306) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
PubChem CID133202306
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
SMILESCCC1CCCCN1CCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O/c1-2-17-6-3-4-12-21(17)13-5-11-20-18(22)14-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyVRUUSLOTIDYJHN-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823
N-[4-[2-[3-(2-ethylpiperidin-1-yl)propylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 50791553
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide (CID 133202306) is N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide is CCC1CCCCN1CCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VRUUSLOTIDYJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-2-17-6-3-4-12-21(17)13-5-11-20-18(22)14-15-7-9-16(19)10-8-15/h7-10,17H,2-6,11-14H2,1H3,(H,20,22).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 306.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133202306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).