(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

C18H25N3O3 — CID 110365079

IUPAC(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C18H25N3O3/c1-14-3-4-16(13-15(14)2)17(22)19-5-7-20(8-6-19)18(23)21-9-11-24-12-10-21/h3-4,13H,5-12H2,1-2H3
InChIKeyHEZQVOGZWGNNMG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.51
Rot. Bonds1

About (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 110365079) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID110365079
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C18H25N3O3/c1-14-3-4-16(13-15(14)2)17(22)19-5-7-20(8-6-19)18(23)21-9-11-24-12-10-21/h3-4,13H,5-12H2,1-2H3
InChIKeyHEZQVOGZWGNNMG-UHFFFAOYSA-N
XLogP1.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone 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

(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethanone
CID 110368754
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone (CID 110365079) is (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is HEZQVOGZWGNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-3-4-16(13-15(14)2)17(22)19-5-7-20(8-6-19)18(23)21-9-11-24-12-10-21/h3-4,13H,5-12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).