2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one

C22H32N4O3 — CID 110246330

IUPAC2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
SMILESCC(CN1CCOCC1)C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C22H32N4O3/c1-18(15-23-11-13-29-14-12-23)21(27)26-16-19(17-26)22(28)25-9-7-24(8-10-25)20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3
InChIKeyDQTTWDVGRLRSSB-UHFFFAOYSA-N
MW400.52 g/mol
LogP0.76
Rot. Bonds5

About 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one

2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one (PubChem CID 110246330) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
PubChem CID110246330
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one
SMILESCC(CN1CCOCC1)C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C22H32N4O3/c1-18(15-23-11-13-29-14-12-23)21(27)26-16-19(17-26)22(28)25-9-7-24(8-10-25)20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3
InChIKeyDQTTWDVGRLRSSB-UHFFFAOYSA-N
XLogP0.76
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one with MolForge

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Related Compounds

(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633027
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
(2S)-1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-methyl-3-morpholin-4-ylpropan-1-one
CID 125448598
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one (CID 110246330) is 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one is CC(CN1CCOCC1)C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one?
The InChIKey is DQTTWDVGRLRSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-18(15-23-11-13-29-14-12-23)21(27)26-16-19(17-26)22(28)25-9-7-24(8-10-25)20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one?
2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one has a molecular weight of 400.52 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-1-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 110246330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).