N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

C19H30Cl2N4O3 — CID 119833634

IUPACN-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CNCCO3)CC2)c1C.Cl.Cl
InChIInChI=1S/C19H28N4O3.2ClH/c1-14-4-3-5-16(15(14)2)21-18(24)13-22-7-9-23(10-8-22)19(25)17-12-20-6-11-26-17;;/h3-5,17,20H,6-13H2,1-2H3,(H,21,24);2*1H
InChIKeyWBQDRFJUTYBGRL-UHFFFAOYSA-N
MW433.38 g/mol
LogP1.22
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119833634) has the molecular formula C19H30Cl2N4O3 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119833634
Molecular FormulaC19H30Cl2N4O3
Molecular Weight433.38 g/mol
Exact Mass432.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CNCCO3)CC2)c1C.Cl.Cl
InChIInChI=1S/C19H28N4O3.2ClH/c1-14-4-3-5-16(15(14)2)21-18(24)13-22-7-9-23(10-8-22)19(25)17-12-20-6-11-26-17;;/h3-5,17,20H,6-13H2,1-2H3,(H,21,24);2*1H
InChIKeyWBQDRFJUTYBGRL-UHFFFAOYSA-N
XLogP1.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride 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

N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833581
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
CID 119833608
2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120797140
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119833634) is N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is Cc1cccc(NC(=O)CN2CCN(C(=O)C3CNCCO3)CC2)c1C.Cl.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is WBQDRFJUTYBGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.2ClH/c1-14-4-3-5-16(15(14)2)21-18(24)13-22-7-9-23(10-8-22)19(25)17-12-20-6-11-26-17;;/h3-5,17,20H,6-13H2,1-2H3,(H,21,24);2*1H.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 433.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).