tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate

C34H42N4O5 — CID 70194879

IUPACtert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
SMILESCc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C34H42N4O5/c1-24-8-11-27(35-26-6-5-7-28(22-26)37-18-20-41-21-19-37)23-31(24)36-32(39)25-9-12-29(13-10-25)42-30-14-16-38(17-15-30)33(40)43-34(2,3)4/h5-13,22-23,30,35H,14-21H2,1-4H3,(H,36,39)
InChIKeyMZNCQAIRQHXQOU-UHFFFAOYSA-N
MW586.73 g/mol
LogP6.61
Rot. Bonds7

About tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate

tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate (PubChem CID 70194879) has the molecular formula C34H42N4O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
PubChem CID70194879
Molecular FormulaC34H42N4O5
Molecular Weight586.73 g/mol
Exact Mass586.32
IUPAC Nametert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
SMILESCc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C34H42N4O5/c1-24-8-11-27(35-26-6-5-7-28(22-26)37-18-20-41-21-19-37)23-31(24)36-32(39)25-9-12-29(13-10-25)42-30-14-16-38(17-15-30)33(40)43-34(2,3)4/h5-13,22-23,30,35H,14-21H2,1-4H3,(H,36,39)
InChIKeyMZNCQAIRQHXQOU-UHFFFAOYSA-N
XLogP6.61
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate 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

tert-butyl 4-[4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 22291050
tert-butyl 4-[2-[(3-morpholin-4-ylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56513587
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 91306872
tert-butyl 4-[2-[(5-chloro-2-formylphenyl)carbamoyl]-5-morpholin-4-ylphenoxy]piperidine-1-carboxylate
CID 89099103
3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 70208034
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
CID 142647198
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
tert-butyl 4-[4-[[3-(3-methoxy-3-oxoprop-1-enyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxylate
CID 68926210
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate (CID 70194879) is tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate is Cc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
The InChIKey is MZNCQAIRQHXQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5/c1-24-8-11-27(35-26-6-5-7-28(22-26)37-18-20-41-21-19-37)23-31(24)36-32(39)25-9-12-29(13-10-25)42-30-14-16-38(17-15-30)33(40)43-34(2,3)4/h5-13,22-23,30,35H,14-21H2,1-4H3,(H,36,39).
What are the key properties of tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate has a molecular weight of 586.73 g/mol, XLogP of 6.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[2-methyl-5-(3-morpholin-4-ylanilino)phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 70194879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).