2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone

C19H25FN2O2 — CID 110366432

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)ccc1F
InChIInChI=1S/C19H25FN2O2/c1-14-12-16(6-7-17(14)20)18(23)13-21-8-10-22(11-9-21)19(24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3
InChIKeyHWHXMYBPNBIINX-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 110366432) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID110366432
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)ccc1F
InChIInChI=1S/C19H25FN2O2/c1-14-12-16(6-7-17(14)20)18(23)13-21-8-10-22(11-9-21)19(24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3
InChIKeyHWHXMYBPNBIINX-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
CID 110366873
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
benzyl 4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366473
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone (CID 110366432) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)ccc1F.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is HWHXMYBPNBIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14-12-16(6-7-17(14)20)18(23)13-21-8-10-22(11-9-21)19(24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 332.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 110366432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).