2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

C19H28ClN3O2 — CID 164631168

IUPAC2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-19(2)14-25-17(15-6-4-5-7-16(15)20)12-23(19)13-18(24)22-10-8-21(3)9-11-22/h4-7,17H,8-14H2,1-3H3/t17-/m0/s1
InChIKeyVCMARYAMBQAELJ-KRWDZBQOSA-N
MW365.91 g/mol
LogP2.27
Rot. Bonds3

About 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 164631168) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID164631168
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-19(2)14-25-17(15-6-4-5-7-16(15)20)12-23(19)13-18(24)22-10-8-21(3)9-11-22/h4-7,17H,8-14H2,1-3H3/t17-/m0/s1
InChIKeyVCMARYAMBQAELJ-KRWDZBQOSA-N
XLogP2.27
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 164631168) is 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1.
What is the InChIKey of 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is VCMARYAMBQAELJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-19(2)14-25-17(15-6-4-5-7-16(15)20)12-23(19)13-18(24)22-10-8-21(3)9-11-22/h4-7,17H,8-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 365.91 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 164631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).