[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone

C22H27N3O2 — CID 131903363

IUPAC[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)20-9-7-19(8-10-20)22(26)25-15-16-27-21(17-25)18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3
InChIKeyNYNLXRVSQLMHPL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.65
Rot. Bonds3

About [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone

[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 131903363) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID131903363
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)20-9-7-19(8-10-20)22(26)25-15-16-27-21(17-25)18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3
InChIKeyNYNLXRVSQLMHPL-UHFFFAOYSA-N
XLogP2.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone (CID 131903363) is [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone is CN1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)cc2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is NYNLXRVSQLMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-11-13-24(14-12-23)20-9-7-19(8-10-20)22(26)25-15-16-27-21(17-25)18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone?
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 131903363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).