N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide

C15H21FN4O — CID 61440078

IUPACN-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H21FN4O/c16-11-1-4-13(17)14(9-11)18-15(21)10-19-5-7-20(8-6-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,17H2,(H,18,21)
InChIKeyVIGKFACFFCUBPB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.13
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide

N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide (PubChem CID 61440078) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
PubChem CID61440078
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H21FN4O/c16-11-1-4-13(17)14(9-11)18-15(21)10-19-5-7-20(8-6-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,17H2,(H,18,21)
InChIKeyVIGKFACFFCUBPB-UHFFFAOYSA-N
XLogP1.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide (CID 61440078) is N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide is Nc1ccc(F)cc1NC(=O)CN1CCN(C2CC2)CC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The InChIKey is VIGKFACFFCUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-11-1-4-13(17)14(9-11)18-15(21)10-19-5-7-20(8-6-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,17H2,(H,18,21).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide is sourced from PubChem (CID 61440078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).