ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

C21H33N3O3 — CID 109028940

IUPACethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2c(CC)cccc2CC)CC1
InChIInChI=1S/C21H33N3O3/c1-4-16-8-7-9-17(5-2)20(16)23-19(25)10-13-22-18-11-14-24(15-12-18)21(26)27-6-3/h7-9,18,22H,4-6,10-15H2,1-3H3,(H,23,25)
InChIKeyUAOWNBRUMJIABX-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.35
Rot. Bonds8

About ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 109028940) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID109028940
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Nameethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)Nc2c(CC)cccc2CC)CC1
InChIInChI=1S/C21H33N3O3/c1-4-16-8-7-9-17(5-2)20(16)23-19(25)10-13-22-18-11-14-24(15-12-18)21(26)27-6-3/h7-9,18,22H,4-6,10-15H2,1-3H3,(H,23,25)
InChIKeyUAOWNBRUMJIABX-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-[[3-(2-ethyl-6-methylanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950238
ethyl 4-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028976
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 109028940) is ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)Nc2c(CC)cccc2CC)CC1.
What is the InChIKey of ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is UAOWNBRUMJIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-16-8-7-9-17(5-2)20(16)23-19(25)10-13-22-18-11-14-24(15-12-18)21(26)27-6-3/h7-9,18,22H,4-6,10-15H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 375.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109028940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).