ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate

C19H29N3O3 — CID 109028834

IUPACethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccccc2CC)CC1
InChIInChI=1S/C19H29N3O3/c1-3-15-7-5-6-8-17(15)20-12-9-18(23)21-16-10-13-22(14-11-16)19(24)25-4-2/h5-8,16,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyZOBPBWFGEFFKNJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.79
Rot. Bonds7

About ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate (PubChem CID 109028834) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
PubChem CID109028834
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccccc2CC)CC1
InChIInChI=1S/C19H29N3O3/c1-3-15-7-5-6-8-17(15)20-12-9-18(23)21-16-10-13-22(14-11-16)19(24)25-4-2/h5-8,16,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyZOBPBWFGEFFKNJ-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
CID 109028898
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate (CID 109028834) is ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCNc2ccccc2CC)CC1.
What is the InChIKey of ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate?
The InChIKey is ZOBPBWFGEFFKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-15-7-5-6-8-17(15)20-12-9-18(23)21-16-10-13-22(14-11-16)19(24)25-4-2/h5-8,16,20H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 109028834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).