ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride

C62H107ClN8O15 — CID 159666252

IUPACethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.CCOC(=O)C1CCN(C2CC3COCC(C2)N3C(=O)OCC)CC1.CCOC(=O)C1CCNCC1.CCOC(=O)N1C2COCC1CC(=O)C2.CCOC(=O)N1C2COCC1CC(N1CCC(C(=O)NC3(C)CCC3)CC1)C2.Cl
InChIInChI=1S/C21H35N3O4.C18H30N2O5.C10H15NO4.C8H15NO2.C5H11N.ClH/c1-3-28-20(26)24-17-11-16(12-18(24)14-27-13-17)23-9-5-15(6-10-23)19(25)22-21(2)7-4-8-21;1-3-24-17(21)13-5-7-19(8-6-13)14-9-15-11-23-12-16(10-14)20(15)18(22)25-4-2;1-2-15-10(13)11-7-3-9(12)4-8(11)6-14-5-7;1-2-11-8(10)7-3-5-9-6-4-7;1-5(6)3-2-4-5;/h15-18H,3-14H2,1-2H3,(H,22,25);13-16H,3-12H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3;2-4,6H2,1H3;1H
InChIKeySZZTUJKNHOVXLG-UHFFFAOYSA-N
MW1240.03 g/mol
LogP6.23
Rot. Bonds11

About ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride

ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride (PubChem CID 159666252) has the molecular formula C62H107ClN8O15 and a molecular weight of 1240.03 g/mol. Its IUPAC name is ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Nameethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
PubChem CID159666252
Molecular FormulaC62H107ClN8O15
Molecular Weight1240.03 g/mol
Exact Mass1238.75
IUPAC Nameethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.CCOC(=O)C1CCN(C2CC3COCC(C2)N3C(=O)OCC)CC1.CCOC(=O)C1CCNCC1.CCOC(=O)N1C2COCC1CC(=O)C2.CCOC(=O)N1C2COCC1CC(N1CCC(C(=O)NC3(C)CCC3)CC1)C2.Cl
InChIInChI=1S/C21H35N3O4.C18H30N2O5.C10H15NO4.C8H15NO2.C5H11N.ClH/c1-3-28-20(26)24-17-11-16(12-18(24)14-27-13-17)23-9-5-15(6-10-23)19(25)22-21(2)7-4-8-21;1-3-24-17(21)13-5-7-19(8-6-13)14-9-15-11-23-12-16(10-14)20(15)18(22)25-4-2;1-2-15-10(13)11-7-3-9(12)4-8(11)6-14-5-7;1-2-11-8(10)7-3-5-9-6-4-7;1-5(6)3-2-4-5;/h15-18H,3-14H2,1-2H3,(H,22,25);13-16H,3-12H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3;2-4,6H2,1H3;1H
InChIKeySZZTUJKNHOVXLG-UHFFFAOYSA-N
XLogP6.23
TPSA259.61 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.03
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

but-2-ynyl 3-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73438470
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
CID 153377376
lithium;1-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxypiperidine-4-carboxylic acid;ethyl 3-(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-[4-methoxy-4-[2-(1-methylcyclobutyl)acetyl]piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;1-methylcyclobutan-1-amine;methyl 4-methoxypiperidine-4-carboxylate;hydroxide;dihydrochloride
CID 161084758
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
ethyl 3-piperazin-1-ylcyclobutane-1-carboxylate
CID 166000292
1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
CID 129496953
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 155046958
N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
CID 156541846
ethyl 7-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 146279032

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride (CID 159666252) is ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride is CC1(N)CCC1.CCOC(=O)C1CCN(C2CC3COCC(C2)N3C(=O)OCC)CC1.CCOC(=O)C1CCNCC1.CCOC(=O)N1C2COCC1CC(=O)C2.CCOC(=O)N1C2COCC1CC(N1CCC(C(=O)NC3(C)CCC3)CC1)C2.Cl.
What is the InChIKey of ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is SZZTUJKNHOVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4.C18H30N2O5.C10H15NO4.C8H15NO2.C5H11N.ClH/c1-3-28-20(26)24-17-11-16(12-18(24)14-27-13-17)23-9-5-15(6-10-23)19(25)22-21(2)7-4-8-21;1-3-24-17(21)13-5-7-19(8-6-13)14-9-15-11-23-12-16(10-14)20(15)18(22)25-4-2;1-2-15-10(13)11-7-3-9(12)4-8(11)6-14-5-7;1-2-11-8(10)7-3-5-9-6-4-7;1-5(6)3-2-4-5;/h15-18H,3-14H2,1-2H3,(H,22,25);13-16H,3-12H2,1-2H3;7-8H,2-6H2,1H3;7,9H,2-6H2,1H3;2-4,6H2,1H3;1H.
What are the key properties of ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride?
ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 1240.03 g/mol, XLogP of 6.23, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 159666252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).