N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

C36H48N4O3 — CID 134136134

IUPACN-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C36H48N4O3/c41-36(37-30-31-15-17-33(18-16-31)43-27-9-20-39-25-28-42-29-26-39)14-5-2-8-19-38-21-23-40(24-22-38)35-13-7-6-12-34(35)32-10-3-1-4-11-32/h1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-30H2,(H,37,41)
InChIKeyHCQHYAXNIILCGJ-UHFFFAOYSA-N
MW584.81 g/mol
LogP5.45
Rot. Bonds15

About N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (PubChem CID 134136134) has the molecular formula C36H48N4O3 and a molecular weight of 584.81 g/mol. Its IUPAC name is N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
PubChem CID134136134
Molecular FormulaC36H48N4O3
Molecular Weight584.81 g/mol
Exact Mass584.37
IUPAC NameN-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C36H48N4O3/c41-36(37-30-31-15-17-33(18-16-31)43-27-9-20-39-25-28-42-29-26-39)14-5-2-8-19-38-21-23-40(24-22-38)35-13-7-6-12-34(35)32-10-3-1-4-11-32/h1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-30H2,(H,37,41)
InChIKeyHCQHYAXNIILCGJ-UHFFFAOYSA-N
XLogP5.45
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The IUPAC name of N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (CID 134136134) is N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.
What is the SMILES notation for N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The canonical SMILES for N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The InChIKey is HCQHYAXNIILCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N4O3/c41-36(37-30-31-15-17-33(18-16-31)43-27-9-20-39-25-28-42-29-26-39)14-5-2-8-19-38-21-23-40(24-22-38)35-13-7-6-12-34(35)32-10-3-1-4-11-32/h1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-30H2,(H,37,41).
What are the key properties of N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide has a molecular weight of 584.81 g/mol, XLogP of 5.45, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is sourced from PubChem (CID 134136134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).