2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C23H38N6O3 — CID 111243155

IUPAC2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(N2CCN(/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C23H38N6O3/c1-26(2)22(30)19-25-23(24-9-4-10-27-15-17-32-18-16-27)29-13-11-28(12-14-29)20-5-7-21(31-3)8-6-20/h5-8H,4,9-19H2,1-3H3,(H,24,25)
InChIKeyRJHVIIUWTZZIOS-UHFFFAOYSA-N
MW446.60 g/mol
LogP0.57
Rot. Bonds8

About 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111243155) has the molecular formula C23H38N6O3 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111243155
Molecular FormulaC23H38N6O3
Molecular Weight446.60 g/mol
Exact Mass446.30
IUPAC Name2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(N2CCN(/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C23H38N6O3/c1-26(2)22(30)19-25-23(24-9-4-10-27-15-17-32-18-16-27)29-13-11-28(12-14-29)20-5-7-21(31-3)8-6-20/h5-8H,4,9-19H2,1-3H3,(H,24,25)
InChIKeyRJHVIIUWTZZIOS-UHFFFAOYSA-N
XLogP0.57
TPSA72.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[[4-(3-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111291090
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961770
2-[[(3-ethoxypropylamino)-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111242744
N,N-dimethyl-2-[[[4-(3-methylphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111421406
2-[[[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048081
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541432
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111167016
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
CID 111723403
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(4-phenoxypiperidin-1-yl)methylidene]amino]acetamide
CID 110042829
2-[[[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111748619
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
N,N-dimethyl-2-[[[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 111741763

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111243155) is 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is COc1ccc(N2CCN(/C(=N/CC(=O)N(C)C)NCCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is RJHVIIUWTZZIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O3/c1-26(2)22(30)19-25-23(24-9-4-10-27-15-17-32-18-16-27)29-13-11-28(12-14-29)20-5-7-21(31-3)8-6-20/h5-8H,4,9-19H2,1-3H3,(H,24,25).
What are the key properties of 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 446.60 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111243155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).