2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

C24H28FN3O3 — CID 86971742

IUPAC2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1OC1CCC1
InChIInChI=1S/C24H28FN3O3/c25-18-8-10-19(11-9-18)27-14-16-28(17-15-27)23(29)12-13-26-24(30)21-6-1-2-7-22(21)31-20-4-3-5-20/h1-2,6-11,20H,3-5,12-17H2,(H,26,30)
InChIKeyDJYWYDYXSFYBJA-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.23
Rot. Bonds7

About 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide

2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 86971742) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID86971742
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1OC1CCC1
InChIInChI=1S/C24H28FN3O3/c25-18-8-10-19(11-9-18)27-14-16-28(17-15-27)23(29)12-13-26-24(30)21-6-1-2-7-22(21)31-20-4-3-5-20/h1-2,6-11,20H,3-5,12-17H2,(H,26,30)
InChIKeyDJYWYDYXSFYBJA-UHFFFAOYSA-N
XLogP3.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42508020
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78902413
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
2-cyclobutyloxy-N-(3-hydroxybutyl)benzamide
CID 111433576
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111215945
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215944
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405099

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide (CID 86971742) is 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is DJYWYDYXSFYBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-18-8-10-19(11-9-18)27-14-16-28(17-15-27)23(29)12-13-26-24(30)21-6-1-2-7-22(21)31-20-4-3-5-20/h1-2,6-11,20H,3-5,12-17H2,(H,26,30).
What are the key properties of 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide?
2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 425.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 86971742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).