(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C19H27N3O3 — CID 95303672

IUPAC(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-15-5-3-4-6-17(15)19(24)21-9-7-20(8-10-21)16(2)18(23)22-11-13-25-14-12-22/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyHLJSJHJFHXZDKC-INIZCTEOSA-N
MW345.44 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95303672) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95303672
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-15-5-3-4-6-17(15)19(24)21-9-7-20(8-10-21)16(2)18(23)22-11-13-25-14-12-22/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyHLJSJHJFHXZDKC-INIZCTEOSA-N
XLogP1.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95303672) is (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HLJSJHJFHXZDKC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-5-3-4-6-17(15)19(24)21-9-7-20(8-10-21)16(2)18(23)22-11-13-25-14-12-22/h3-6,16H,7-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 345.44 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95303672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).