ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate

C16H28N2O3 — CID 134002906

IUPACethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)N2CCCCC2CC)C1
InChIInChI=1S/C16H28N2O3/c1-3-14-9-5-6-11-18(14)15(19)13-8-7-10-17(12-13)16(20)21-4-2/h13-14H,3-12H2,1-2H3
InChIKeyDAMVDFODDCGJQE-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.65
Rot. Bonds3

About ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate

ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 134002906) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID134002906
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)N2CCCCC2CC)C1
InChIInChI=1S/C16H28N2O3/c1-3-14-9-5-6-11-18(14)15(19)13-8-7-10-17(12-13)16(20)21-4-2/h13-14H,3-12H2,1-2H3
InChIKeyDAMVDFODDCGJQE-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 95788654
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 61010810
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 134002906) is ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)N2CCCCC2CC)C1.
What is the InChIKey of ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is DAMVDFODDCGJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-14-9-5-6-11-18(14)15(19)13-8-7-10-17(12-13)16(20)21-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 134002906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).