1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

C24H27FN2O2 — CID 110611425

IUPAC1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-9-5-4-6-18(21)12-13-22(28)26-14-16-27(17-15-26)24(29)23(20-10-11-20)19-7-2-1-3-8-19/h1-9,20,23H,10-17H2
InChIKeyRYVHHUWUDLJIQJ-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.62
Rot. Bonds6

About 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one

1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 110611425) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID110611425
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-9-5-4-6-18(21)12-13-22(28)26-14-16-27(17-15-26)24(29)23(20-10-11-20)19-7-2-1-3-8-19/h1-9,20,23H,10-17H2
InChIKeyRYVHHUWUDLJIQJ-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
3-(2-fluorophenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110603269

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one (CID 110611425) is 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)N1CCN(C(=O)C(c2ccccc2)C2CC2)CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is RYVHHUWUDLJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-21-9-5-4-6-18(21)12-13-22(28)26-14-16-27(17-15-26)24(29)23(20-10-11-20)19-7-2-1-3-8-19/h1-9,20,23H,10-17H2.
What are the key properties of 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one?
1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 394.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 110611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).