N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide

C15H19FN2O2 — CID 70220790

IUPACN-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide
SMILESO=C(C=C1CCNCC1)NC(CO)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)14(10-19)18-15(20)9-11-5-7-17-8-6-11/h1-4,9,14,17,19H,5-8,10H2,(H,18,20)
InChIKeyGOJQLAKATQZZEZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide (PubChem CID 70220790) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide
PubChem CID70220790
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide
SMILESO=C(C=C1CCNCC1)NC(CO)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)14(10-19)18-15(20)9-11-5-7-17-8-6-11/h1-4,9,14,17,19H,5-8,10H2,(H,18,20)
InChIKeyGOJQLAKATQZZEZ-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-(iodoamino)ethanol
CID 148832712
N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
CID 10992582
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 126443325
2-ethoxy-N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 131951394
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
CID 68873088
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171675087
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
CID 110004284
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96582437

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide (CID 70220790) is N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide is O=C(C=C1CCNCC1)NC(CO)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide?
The InChIKey is GOJQLAKATQZZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)14(10-19)18-15(20)9-11-5-7-17-8-6-11/h1-4,9,14,17,19H,5-8,10H2,(H,18,20).
What are the key properties of N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide?
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide has a molecular weight of 278.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-piperidin-4-ylideneacetamide is sourced from PubChem (CID 70220790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).