3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

C17H23Cl2N3O2 — CID 47010170

IUPAC3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCl.O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccc1Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-7-2-1-6-13(14)12-19-10-5-11-21-15(22)17(20-16(21)23)8-3-4-9-17;/h1-2,6-7,19H,3-5,8-12H2,(H,20,23);1H
InChIKeyVOPQMOFNNSSDGD-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.11
Rot. Bonds6

About 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (PubChem CID 47010170) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
PubChem CID47010170
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
SMILESCl.O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccc1Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-7-2-1-6-13(14)12-19-10-5-11-21-15(22)17(20-16(21)23)8-3-4-9-17;/h1-2,6-7,19H,3-5,8-12H2,(H,20,23);1H
InChIKeyVOPQMOFNNSSDGD-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The IUPAC name of 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride (CID 47010170) is 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is Cl.O=C1NC2(CCCC2)C(=O)N1CCCNCc1ccccc1Cl.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
The InChIKey is VOPQMOFNNSSDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c18-14-7-2-1-6-13(14)12-19-10-5-11-21-15(22)17(20-16(21)23)8-3-4-9-17;/h1-2,6-7,19H,3-5,8-12H2,(H,20,23);1H.
What are the key properties of 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride?
3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride is sourced from PubChem (CID 47010170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).