4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide

C19H22FN3O3 — CID 108871212

IUPAC4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C19H22FN3O3/c1-14(26-16-8-6-15(24)7-9-16)21-19(25)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,14,24H,10-13H2,1H3,(H,21,25)
InChIKeyVMCNYUBBEXNVQS-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.79
Rot. Bonds4

About 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide

4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 108871212) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID108871212
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C19H22FN3O3/c1-14(26-16-8-6-15(24)7-9-16)21-19(25)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,14,24H,10-13H2,1H3,(H,21,25)
InChIKeyVMCNYUBBEXNVQS-UHFFFAOYSA-N
XLogP2.79
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
4-(2,3-dimethylphenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871201
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
N-[1-(4-hydroxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108871103
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 108879940

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide (CID 108871212) is 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(O)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is VMCNYUBBEXNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-14(26-16-8-6-15(24)7-9-16)21-19(25)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,14,24H,10-13H2,1H3,(H,21,25).
What are the key properties of 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108871212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).