ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate

C19H29N3O3 — CID 108998968

IUPACethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(15-16-8-6-5-7-9-16)18(23)14-20-17-10-12-22(13-11-17)19(24)25-4-2/h5-9,17,20H,3-4,10-15H2,1-2H3
InChIKeyODEGALNVHYYQOF-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.25
Rot. Bonds7

About ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 108998968) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID108998968
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(15-16-8-6-5-7-9-16)18(23)14-20-17-10-12-22(13-11-17)19(24)25-4-2/h5-9,17,20H,3-4,10-15H2,1-2H3
InChIKeyODEGALNVHYYQOF-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]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

ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 109022893
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
ethyl 1-[N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156784
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate (CID 108998968) is ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)N(CC)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is ODEGALNVHYYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-21(15-16-8-6-5-7-9-16)18(23)14-20-17-10-12-22(13-11-17)19(24)25-4-2/h5-9,17,20H,3-4,10-15H2,1-2H3.
What are the key properties of ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108998968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).