2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone

C19H26ClN3O3 — CID 120935498

IUPAC2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O3/c1-13-12-22(19(25)18-14(2)26-9-6-21-18)7-8-23(13)17(24)11-15-4-3-5-16(20)10-15/h3-5,10,13-14,18,21H,6-9,11-12H2,1-2H3/t13?,14-,18+/m1/s1
InChIKeyWGLZLDKHJYOPOJ-HJFZTSBYSA-N
MW379.89 g/mol
LogP1.32
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone

2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 120935498) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID120935498
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O3/c1-13-12-22(19(25)18-14(2)26-9-6-21-18)7-8-23(13)17(24)11-15-4-3-5-16(20)10-15/h3-5,10,13-14,18,21H,6-9,11-12H2,1-2H3/t13?,14-,18+/m1/s1
InChIKeyWGLZLDKHJYOPOJ-HJFZTSBYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982000
2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 120991203
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 120903865
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938074
(3S)-4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylic acid
CID 69250292
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942286
(2R,3S)-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935514
2-(3-chlorophenyl)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213234
(2R,3S)-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942745
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone (CID 120935498) is 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone is CC1CN(C(=O)[C@H]2NCCO[C@@H]2C)CCN1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is WGLZLDKHJYOPOJ-HJFZTSBYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-13-12-22(19(25)18-14(2)26-9-6-21-18)7-8-23(13)17(24)11-15-4-3-5-16(20)10-15/h3-5,10,13-14,18,21H,6-9,11-12H2,1-2H3/t13?,14-,18+/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 379.89 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 120935498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).