ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate

C19H29N3O3 — CID 109022893

IUPACethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(16-17-8-6-5-7-9-17)18(23)10-11-20-12-14-22(15-13-20)19(24)25-4-2/h5-9H,3-4,10-16H2,1-2H3
InChIKeyDYEFRNKVIPGGJI-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.20
Rot. Bonds7

About ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate

ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 109022893) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
PubChem CID109022893
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(16-17-8-6-5-7-9-17)18(23)10-11-20-12-14-22(15-13-20)19(24)25-4-2/h5-9H,3-4,10-16H2,1-2H3
InChIKeyDYEFRNKVIPGGJI-UHFFFAOYSA-N
XLogP2.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-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

N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
CID 109022905
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
ethyl 4-[2-(N-benzylanilino)acetyl]piperazine-1-carboxylate
CID 109003906
benzyl 4-[3-(2-methylpropoxy)-3-oxopropyl]piperazine-1-carboxylate
CID 131999377

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate (CID 109022893) is ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(=O)N(CC)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is DYEFRNKVIPGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-21(16-17-8-6-5-7-9-17)18(23)10-11-20-12-14-22(15-13-20)19(24)25-4-2/h5-9H,3-4,10-16H2,1-2H3.
What are the key properties of ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate?
ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 109022893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).