N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C13H18FN3O — CID 104975542

IUPACN-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H18FN3O/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyDVAZRXHPHDHULL-SNVBAGLBSA-N
MW251.30 g/mol
LogP1.06
Rot. Bonds3

About N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975542) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975542
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)CCN1
InChIInChI=1S/C13H18FN3O/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyDVAZRXHPHDHULL-SNVBAGLBSA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975542) is N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)CCN1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is DVAZRXHPHDHULL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).