1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone

C19H21Cl2N3O2 — CID 141088441

IUPAC1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone
SMILESC[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)COc1ccc(Cl)cn1
InChIInChI=1S/C19H21Cl2N3O2/c1-14-11-23(12-15-2-4-16(20)5-3-15)8-9-24(14)19(25)13-26-18-7-6-17(21)10-22-18/h2-7,10,14H,8-9,11-13H2,1H3/t14-/m1/s1
InChIKeyASEQMMSTYQIHPM-CQSZACIVSA-N
MW394.30 g/mol
LogP3.50
Rot. Bonds5

About 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone

1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone (PubChem CID 141088441) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone
PubChem CID141088441
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone
SMILESC[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)COc1ccc(Cl)cn1
InChIInChI=1S/C19H21Cl2N3O2/c1-14-11-23(12-15-2-4-16(20)5-3-15)8-9-24(14)19(25)13-26-18-7-6-17(21)10-22-18/h2-7,10,14H,8-9,11-13H2,1H3/t14-/m1/s1
InChIKeyASEQMMSTYQIHPM-CQSZACIVSA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 57041886
[5-bromo-2-[2-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonic acid
CID 10230304
2-[5-chloro-2-[2-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]ethanesulfonic acid
CID 10164006
[5-bromo-2-[2-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]methylphosphonic acid
CID 10482168
[5-bromo-2-[2-[4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]methanesulfonic acid
CID 22268101
2-[2-(aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 18768109
5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]benzenesulfonic acid
CID 11775459
N-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 22263865
2-[4-chloro-2-[[4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 73306092
2-(4-chloroanilino)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264535
2-(3-amino-4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264287
2-(4-chlorophenyl)-1-[(2S)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141146785

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone?
The IUPAC name of 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone (CID 141088441) is 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone is C[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C(=O)COc1ccc(Cl)cn1.
What is the InChIKey of 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone?
The InChIKey is ASEQMMSTYQIHPM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-14-11-23(12-15-2-4-16(20)5-3-15)8-9-24(14)19(25)13-26-18-7-6-17(21)10-22-18/h2-7,10,14H,8-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone?
1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone has a molecular weight of 394.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[(4-chlorophenyl)methyl]-2-methylpiperazin-1-yl]-2-[(5-chloro-2-pyridinyl)oxy]ethanone is sourced from PubChem (CID 141088441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).