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

C35H46N4O3 — CID 134151980

IUPACN-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C35H46N4O3/c40-35(36-29-30-14-16-32(17-15-30)42-28-25-38-23-26-41-27-24-38)13-5-2-8-18-37-19-21-39(22-20-37)34-12-7-6-11-33(34)31-9-3-1-4-10-31/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-29H2,(H,36,40)
InChIKeyNKJBABKLZJYEME-UHFFFAOYSA-N
MW570.78 g/mol
LogP5.06
Rot. Bonds14

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

N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (PubChem CID 134151980) has the molecular formula C35H46N4O3 and a molecular weight of 570.78 g/mol. Its IUPAC name is N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
PubChem CID134151980
Molecular FormulaC35H46N4O3
Molecular Weight570.78 g/mol
Exact Mass570.36
IUPAC NameN-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C35H46N4O3/c40-35(36-29-30-14-16-32(17-15-30)42-28-25-38-23-26-41-27-24-38)13-5-2-8-18-37-19-21-39(22-20-37)34-12-7-6-11-33(34)31-9-3-1-4-10-31/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-29H2,(H,36,40)
InChIKeyNKJBABKLZJYEME-UHFFFAOYSA-N
XLogP5.06
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 55.06
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-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The IUPAC name of N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide (CID 134151980) is N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide.
What is the SMILES notation for N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The canonical SMILES for N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The InChIKey is NKJBABKLZJYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N4O3/c40-35(36-29-30-14-16-32(17-15-30)42-28-25-38-23-26-41-27-24-38)13-5-2-8-18-37-19-21-39(22-20-37)34-12-7-6-11-33(34)31-9-3-1-4-10-31/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-29H2,(H,36,40).
What are the key properties of N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide has a molecular weight of 570.78 g/mol, XLogP of 5.06, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide is sourced from PubChem (CID 134151980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).