N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide

C20H30N4O2 — CID 155543125

IUPACN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2/c25-20(16-22-12-14-26-15-13-22)21-17-4-6-19(7-5-17)24-10-8-23(9-11-24)18-2-1-3-18/h4-7,18H,1-3,8-16H2,(H,21,25)
InChIKeyQURUVMRHRAOHBL-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.63
Rot. Bonds5

About N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide

N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 155543125) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID155543125
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2/c25-20(16-22-12-14-26-15-13-22)21-17-4-6-19(7-5-17)24-10-8-23(9-11-24)18-2-1-3-18/h4-7,18H,1-3,8-16H2,(H,21,25)
InChIKeyQURUVMRHRAOHBL-UHFFFAOYSA-N
XLogP1.63
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-Morpholineacetamide, N-phenyl-
CID 201328
N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
N-(4-fluorophenyl)-2-morpholinoacetamide
CID 670650
N-[4-(4-morpholinylazo)phenyl]acetamide
CID 799944
1-[2-(2-Morpholinoanilino)-2-oxoethyl]-4-piperidinecarboxamide
CID 2813874
N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide
CID 3754034
3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one
CID 777096
3-Anilino-1-[4-(4-morpholinyl)phenyl]-2,5-pyrrolidinedione
CID 2883916
N-[4-(morpholin-4-yl)phenyl]butanamide
CID 774884
3-morpholin-4-yl-N-phenylpropanamide
CID 2901601

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide (CID 155543125) is N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is QURUVMRHRAOHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-20(16-22-12-14-26-15-13-22)21-17-4-6-19(7-5-17)24-10-8-23(9-11-24)18-2-1-3-18/h4-7,18H,1-3,8-16H2,(H,21,25).
What are the key properties of N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 358.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155543125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).