2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone

C17H23Cl2N3O2 — CID 160957296

IUPAC2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CNCCO2)CC1
InChIInChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)10-17(23)22-6-4-21(5-7-22)12-14-11-20-3-8-24-14/h1-2,9,14,20H,3-8,10-12H2/t14-/m1/s1
InChIKeySWOBZXFXWKZMAK-CQSZACIVSA-N
MW372.30 g/mol
LogP1.67
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 160957296) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID160957296
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CNCCO2)CC1
InChIInChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)10-17(23)22-6-4-21(5-7-22)12-14-11-20-3-8-24-14/h1-2,9,14,20H,3-8,10-12H2/t14-/m1/s1
InChIKeySWOBZXFXWKZMAK-CQSZACIVSA-N
XLogP1.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(4-fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073470
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119832752
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone (CID 160957296) is 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CNCCO2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is SWOBZXFXWKZMAK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c18-15-2-1-13(9-16(15)19)10-17(23)22-6-4-21(5-7-22)12-14-11-20-3-8-24-14/h1-2,9,14,20H,3-8,10-12H2/t14-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 372.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160957296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).