N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide

C18H24FN3O3 — CID 34901048

IUPACN-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cc(F)cc3c2OCOC3)CC1)NC1CC1
InChIInChI=1S/C18H24FN3O3/c19-15-7-13(18-14(8-15)11-24-12-25-18)9-21-3-5-22(6-4-21)10-17(23)20-16-1-2-16/h7-8,16H,1-6,9-12H2,(H,20,23)
InChIKeyWACKZLUVUFHHGS-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.09
Rot. Bonds5

About N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 34901048) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
PubChem CID34901048
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cc(F)cc3c2OCOC3)CC1)NC1CC1
InChIInChI=1S/C18H24FN3O3/c19-15-7-13(18-14(8-15)11-24-12-25-18)9-21-3-5-22(6-4-21)10-17(23)20-16-1-2-16/h7-8,16H,1-6,9-12H2,(H,20,23)
InChIKeyWACKZLUVUFHHGS-UHFFFAOYSA-N
XLogP1.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 47012409
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415
(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 31689095
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
CID 47012412
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropanecarboxamide
CID 2811098
7-[[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798970
N-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]benzamide
CID 33103415
1-cyclopentyl-2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]guanidine
CID 119119397
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37219883
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975222

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide (CID 34901048) is N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cc(F)cc3c2OCOC3)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is WACKZLUVUFHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-7-13(18-14(8-15)11-24-12-25-18)9-21-3-5-22(6-4-21)10-17(23)20-16-1-2-16/h7-8,16H,1-6,9-12H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34901048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).