4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one

C29H34N4O3 — CID 175547237

IUPAC4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(CN(c2ccc(CN3CCNC(=O)C3)cc2)c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-35-28-7-2-4-24(18-28)21-33(27-6-3-5-26(19-27)32-14-16-36-17-15-32)25-10-8-23(9-11-25)20-31-13-12-30-29(34)22-31/h2-11,18-19H,12-17,20-22H2,1H3,(H,30,34)
InChIKeyGKNRYRMEKNDIHJ-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.80
Rot. Bonds8

About 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one

4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one (PubChem CID 175547237) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one
PubChem CID175547237
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(CN(c2ccc(CN3CCNC(=O)C3)cc2)c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-35-28-7-2-4-24(18-28)21-33(27-6-3-5-26(19-27)32-14-16-36-17-15-32)25-10-8-23(9-11-25)20-31-13-12-30-29(34)22-31/h2-11,18-19H,12-17,20-22H2,1H3,(H,30,34)
InChIKeyGKNRYRMEKNDIHJ-UHFFFAOYSA-N
XLogP3.80
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one 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

4-[[4-[(3-methoxyphenyl)methyl-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466092
1-[[4-[N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylanilino]phenyl]methyl]piperazine-2,5-dione
CID 175547191
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
4-[[3-[(4-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466139
4-[[3-[1H-indazol-6-ylmethyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465202
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167465940
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
3-[2-[4-[(3-methoxyphenyl)methyl-[(4-morpholin-4-ylphenyl)methyl]amino]phenoxy]ethoxy]-N,N-dimethylaniline
CID 167465570
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167465265
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one (CID 175547237) is 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one is COc1cccc(CN(c2ccc(CN3CCNC(=O)C3)cc2)c2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one?
The InChIKey is GKNRYRMEKNDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-35-28-7-2-4-24(18-28)21-33(27-6-3-5-26(19-27)32-14-16-36-17-15-32)25-10-8-23(9-11-25)20-31-13-12-30-29(34)22-31/h2-11,18-19H,12-17,20-22H2,1H3,(H,30,34).
What are the key properties of 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one?
4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one has a molecular weight of 486.62 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylanilino]phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 175547237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).