(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride

C23H38ClN3O2 — CID 120993943

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCC3(CC1)CC3C(=O)N1CCCCC1)C2
InChIInChI=1S/C23H37N3O2.ClH/c24-20-16-5-4-6-17(20)14-18(13-16)21(27)26-11-7-23(8-12-26)15-19(23)22(28)25-9-2-1-3-10-25;/h16-20H,1-15,24H2;1H
InChIKeyMHTFHRRBXGLOSA-UHFFFAOYSA-N
MW424.03 g/mol
LogP3.20
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride (PubChem CID 120993943) has the molecular formula C23H38ClN3O2 and a molecular weight of 424.03 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride
PubChem CID120993943
Molecular FormulaC23H38ClN3O2
Molecular Weight424.03 g/mol
Exact Mass423.27
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCC3(CC1)CC3C(=O)N1CCCCC1)C2
InChIInChI=1S/C23H37N3O2.ClH/c24-20-16-5-4-6-17(20)14-18(13-16)21(27)26-11-7-23(8-12-26)15-19(23)22(28)25-9-2-1-3-10-25;/h16-20H,1-15,24H2;1H
InChIKeyMHTFHRRBXGLOSA-UHFFFAOYSA-N
XLogP3.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.03
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 120991954
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 120993815
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride (CID 120993943) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCC3(CC1)CC3C(=O)N1CCCCC1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride?
The InChIKey is MHTFHRRBXGLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2.ClH/c24-20-16-5-4-6-17(20)14-18(13-16)21(27)26-11-7-23(8-12-26)15-19(23)22(28)25-9-2-1-3-10-25;/h16-20H,1-15,24H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride has a molecular weight of 424.03 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]methanone;hydrochloride is sourced from PubChem (CID 120993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).