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

C16H28N2O3 — CID 63132317

IUPACethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(8-6-9-17-12-16)15(20)18-10-5-7-13(11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3
InChIKeyBQXJUAYKRUCWBC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds4

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

ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 63132317) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
PubChem CID63132317
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2(CC)CCCNC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(8-6-9-17-12-16)15(20)18-10-5-7-13(11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3
InChIKeyBQXJUAYKRUCWBC-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367
(3-ethylpiperidin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199172
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate (CID 63132317) is ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2(CC)CCCNC2)C1.
What is the InChIKey of ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is BQXJUAYKRUCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(8-6-9-17-12-16)15(20)18-10-5-7-13(11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 63132317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).