1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one

C19H20ClFN2O2 — CID 70706283

IUPAC1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one
SMILESCOc1ccc(F)cc1CN1CC(=O)N(c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C19H20ClFN2O2/c1-13-10-23(17-6-3-15(20)4-7-17)19(24)12-22(13)11-14-9-16(21)5-8-18(14)25-2/h3-9,13H,10-12H2,1-2H3
InChIKeyONYXLIJTSFKMTP-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one

1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one (PubChem CID 70706283) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one
PubChem CID70706283
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one
SMILESCOc1ccc(F)cc1CN1CC(=O)N(c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C19H20ClFN2O2/c1-13-10-23(17-6-3-15(20)4-7-17)19(24)12-22(13)11-14-9-16(21)5-8-18(14)25-2/h3-9,13H,10-12H2,1-2H3
InChIKeyONYXLIJTSFKMTP-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96576993
(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
(4S)-4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99742002
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992
4-(bromomethyl)-1-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 168504141
(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 96577739
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one (CID 70706283) is 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one is COc1ccc(F)cc1CN1CC(=O)N(c2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one?
The InChIKey is ONYXLIJTSFKMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-13-10-23(17-6-3-15(20)4-7-17)19(24)12-22(13)11-14-9-16(21)5-8-18(14)25-2/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one?
1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one has a molecular weight of 362.83 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one is sourced from PubChem (CID 70706283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).