N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide

C17H26FN3O2 — CID 71980227

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C17H26FN3O2/c1-4-15(23-16-8-6-5-7-14(16)18)17(22)19-11-13-12-20(2)9-10-21(13)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyAOOYNOOEPMDWOA-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.35
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 71980227) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
PubChem CID71980227
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C17H26FN3O2/c1-4-15(23-16-8-6-5-7-14(16)18)17(22)19-11-13-12-20(2)9-10-21(13)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyAOOYNOOEPMDWOA-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764
(2S)-2-(2-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015253
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide (CID 71980227) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is AOOYNOOEPMDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-4-15(23-16-8-6-5-7-14(16)18)17(22)19-11-13-12-20(2)9-10-21(13)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 323.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 71980227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).