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

C16H23F2N3O2 — CID 86906751

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-4-6-14(7-5-13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyWMZPNYZOERULRK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.25
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 86906751) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
PubChem CID86906751
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-4-6-14(7-5-13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyWMZPNYZOERULRK-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

(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86909784
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9390700
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 100611911
1-[1-[4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121672
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (CID 86906751) is N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is WMZPNYZOERULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-3-20-8-10-21(11-9-20)12(2)15(22)19-13-4-6-14(7-5-13)23-16(17)18/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
N-[4-(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-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86906751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).