ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate

C18H30N2O3 — CID 120983615

IUPACethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C18H30N2O3/c1-2-23-18(22)12-6-8-20(9-7-12)17(21)15-10-13-4-3-5-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3
InChIKeyWBUGYLKFAVGAJG-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.94
Rot. Bonds3

About ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate (PubChem CID 120983615) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
PubChem CID120983615
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nameethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C18H30N2O3/c1-2-23-18(22)12-6-8-20(9-7-12)17(21)15-10-13-4-3-5-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3
InChIKeyWBUGYLKFAVGAJG-UHFFFAOYSA-N
XLogP1.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
ethyl 8-aminobicyclo[3.2.1]octane-3-carboxylate
CID 69301071
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
ethyl 1-(bicyclo[4.1.0]heptane-7-carbonyl)piperidine-4-carboxylate
CID 79140194
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
CID 120992451
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate (CID 120983615) is ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1.
What is the InChIKey of ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is WBUGYLKFAVGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-2-23-18(22)12-6-8-20(9-7-12)17(21)15-10-13-4-3-5-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3.
What are the key properties of ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 120983615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).