ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate

C21H25N3O4 — CID 112984389

IUPACethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C21H25N3O4/c1-3-28-21(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-20(25)16-5-4-6-19(15-16)27-2/h4-10,15H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyGRPKEKRUNBBGTK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.23
Rot. Bonds5

About ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate

ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate (PubChem CID 112984389) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
PubChem CID112984389
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C21H25N3O4/c1-3-28-21(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-20(25)16-5-4-6-19(15-16)27-2/h4-10,15H,3,11-14H2,1-2H3,(H,22,25)
InChIKeyGRPKEKRUNBBGTK-UHFFFAOYSA-N
XLogP3.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.23
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

3-methoxy-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057837
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
3-methoxy-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide
CID 3949255
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17128061
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 16625061
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate (CID 112984389) is ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate?
The InChIKey is GRPKEKRUNBBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-21(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-20(25)16-5-4-6-19(15-16)27-2/h4-10,15H,3,11-14H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate?
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 112984389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).