1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one

C19H26FN3O2 — CID 72864903

IUPAC1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one
SMILESCN(C)C(C(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(F)c1
InChIInChI=1S/C19H26FN3O2/c1-21(2)18(14-6-5-7-15(20)12-14)19(25)22-10-11-23(17(24)13-22)16-8-3-4-9-16/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3
InChIKeyMTDCAKXSSFXYSU-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one

1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one (PubChem CID 72864903) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one
PubChem CID72864903
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one
SMILESCN(C)C(C(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(F)c1
InChIInChI=1S/C19H26FN3O2/c1-21(2)18(14-6-5-7-15(20)12-14)19(25)22-10-11-23(17(24)13-22)16-8-3-4-9-16/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3
InChIKeyMTDCAKXSSFXYSU-UHFFFAOYSA-N
XLogP2.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 72026
1-(4-Benzoyl-1-piperazinyl)-1-propanone
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1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
Figopitant
CID 9914857
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
CID 3328378
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one (CID 72864903) is 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one is CN(C)C(C(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(F)c1.
What is the InChIKey of 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one?
The InChIKey is MTDCAKXSSFXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21(2)18(14-6-5-7-15(20)12-14)19(25)22-10-11-23(17(24)13-22)16-8-3-4-9-16/h5-7,12,16,18H,3-4,8-11,13H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one?
1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one has a molecular weight of 347.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 72864903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).