7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride

C18H30ClN3O2 — CID 120991283

IUPAC7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCC3(CNC(=O)C3)C1)C2
InChIInChI=1S/C18H29N3O2.ClH/c19-16-12-3-1-4-13(16)8-14(7-12)17(23)21-6-2-5-18(11-21)9-15(22)20-10-18;/h12-14,16H,1-11,19H2,(H,20,22);1H
InChIKeyQLMSGNAMPHFOCO-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.69
Rot. Bonds1

About 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride

7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 120991283) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID120991283
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCC3(CNC(=O)C3)C1)C2
InChIInChI=1S/C18H29N3O2.ClH/c19-16-12-3-1-4-13(16)8-14(7-12)17(23)21-6-2-5-18(11-21)9-15(22)20-10-18;/h12-14,16H,1-11,19H2,(H,20,22);1H
InChIKeyQLMSGNAMPHFOCO-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride (CID 120991283) is 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCCC3(CNC(=O)C3)C1)C2.
What is the InChIKey of 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is QLMSGNAMPHFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c19-16-12-3-1-4-13(16)8-14(7-12)17(23)21-6-2-5-18(11-21)9-15(22)20-10-18;/h12-14,16H,1-11,19H2,(H,20,22);1H.
What are the key properties of 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride?
7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 120991283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).