N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide

C16H23F2N3O2 — CID 86909784

IUPACN-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-6-4-5-7-14(13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyACBFMLLVXFLOTP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide

N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 86909784) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
PubChem CID86909784
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccccc2OC(F)F)CC1
InChIInChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-6-4-5-7-14(13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyACBFMLLVXFLOTP-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 55430826
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46596245
1-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443697
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42888082
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42944385

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (CID 86909784) is N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is ACBFMLLVXFLOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-6-4-5-7-14(13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86909784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).