[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

C17H25N3O2 — CID 97094095

IUPAC[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14-13-18(2)7-8-20(14)17(21)15-3-5-16(6-4-15)19-9-11-22-12-10-19/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1
InChIKeySEODZGCXHGPNQC-AWEZNQCLSA-N
MW303.41 g/mol
LogP1.30
Rot. Bonds2

About [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 97094095) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID97094095
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESC[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14-13-18(2)7-8-20(14)17(21)15-3-5-16(6-4-15)19-9-11-22-12-10-19/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1
InChIKeySEODZGCXHGPNQC-AWEZNQCLSA-N
XLogP1.30
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-[(2S)-2,4-dimethylpiperazine-1-carbonyl]phenyl]piperidine-3-carboxamide
CID 97094091
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-(1,2-oxazol-5-yl)phenyl]methanone
CID 175719598
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
CID 110631087
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877338

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (CID 97094095) is [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is C[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is SEODZGCXHGPNQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-13-18(2)7-8-20(14)17(21)15-3-5-16(6-4-15)19-9-11-22-12-10-19/h3-6,14H,7-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
[(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-dimethylpiperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 97094095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).