N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

C13H18FN3O2 — CID 3030092

IUPACN-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)
InChIKeyXICUDEWSRJWQAU-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.97
Rot. Bonds3

About N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 3030092) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID3030092
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)
InChIKeyXICUDEWSRJWQAU-UHFFFAOYSA-N
XLogP0.97
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
methyl 4-[[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109144
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
N-(4-fluorophenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 17446865
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 3030092) is N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is XICUDEWSRJWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-1-3-12(4-2-11)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19).
What are the key properties of N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 3030092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).