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

C16H24FN3O — CID 113103148

IUPACN-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-9-19-10-12-20(13-11-19)16(21)18-8-7-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3,(H,18,21)
InChIKeyIWCOAZJUZRMISF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.11
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide (PubChem CID 113103148) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
PubChem CID113103148
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-2-9-19-10-12-20(13-11-19)16(21)18-8-7-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3,(H,18,21)
InChIKeyIWCOAZJUZRMISF-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
CID 119062734
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111363030
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide (CID 113103148) is N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide?
The InChIKey is IWCOAZJUZRMISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-9-19-10-12-20(13-11-19)16(21)18-8-7-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 113103148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).