1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride

C16H31ClN2O2 — CID 154907445

IUPAC1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride
SMILESCOCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-15(2,13-20-3)14(19)18-11-4-5-16(8-12-18)6-9-17-10-7-16;/h17H,4-13H2,1-3H3;1H
InChIKeyHIPZENKOUGMTNF-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.46
Rot. Bonds3

About 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride

1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 154907445) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID154907445
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride
SMILESCOCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-15(2,13-20-3)14(19)18-11-4-5-16(8-12-18)6-9-17-10-7-16;/h17H,4-13H2,1-3H3;1H
InChIKeyHIPZENKOUGMTNF-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride (CID 154907445) is 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride is COCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1.Cl.
What is the InChIKey of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is HIPZENKOUGMTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-15(2,13-20-3)14(19)18-11-4-5-16(8-12-18)6-9-17-10-7-16;/h17H,4-13H2,1-3H3;1H.
What are the key properties of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride?
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 154907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).