N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide

C14H21FIN3O2 — CID 173123175

IUPACN-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
SMILESI.O=C(Nc1cccc(F)c1)N1CCN(CCCO)CC1
InChIInChI=1S/C14H20FN3O2.HI/c15-12-3-1-4-13(11-12)16-14(20)18-8-6-17(7-9-18)5-2-10-19;/h1,3-4,11,19H,2,5-10H2,(H,16,20);1H
InChIKeyLUJLWCVYBDVREY-UHFFFAOYSA-N
MW409.24 g/mol
LogP1.98
Rot. Bonds4

About N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide

N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide (PubChem CID 173123175) has the molecular formula C14H21FIN3O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
PubChem CID173123175
Molecular FormulaC14H21FIN3O2
Molecular Weight409.24 g/mol
Exact Mass409.07
IUPAC NameN-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
SMILESI.O=C(Nc1cccc(F)c1)N1CCN(CCCO)CC1
InChIInChI=1S/C14H20FN3O2.HI/c15-12-3-1-4-13(11-12)16-14(20)18-8-6-17(7-9-18)5-2-10-19;/h1,3-4,11,19H,2,5-10H2,(H,16,20);1H
InChIKeyLUJLWCVYBDVREY-UHFFFAOYSA-N
XLogP1.98
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-(3-fluorophenyl)-4-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-carboxamide iodide
CID 68935546
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
CID 23794104
4-[5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]pentyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 44529162
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide?
The IUPAC name of N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide (CID 173123175) is N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide?
The canonical SMILES for N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide is I.O=C(Nc1cccc(F)c1)N1CCN(CCCO)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide?
The InChIKey is LUJLWCVYBDVREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2.HI/c15-12-3-1-4-13(11-12)16-14(20)18-8-6-17(7-9-18)5-2-10-19;/h1,3-4,11,19H,2,5-10H2,(H,16,20);1H.
What are the key properties of N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide?
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide has a molecular weight of 409.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide is sourced from PubChem (CID 173123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).