3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

C16H30ClN3O — CID 66700938

IUPAC3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16;/h14,17H,2-13H2,1H3;1H
InChIKeyHXRFJFZBUXHEAQ-UHFFFAOYSA-N
MW315.89 g/mol
LogP1.74
Rot. Bonds1

About 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 66700938) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID66700938
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC Name3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16;/h14,17H,2-13H2,1H3;1H
InChIKeyHXRFJFZBUXHEAQ-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 66700938) is 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)C2CCC3(CCNCC3)CC2)CC1.Cl.
What is the InChIKey of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is HXRFJFZBUXHEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.ClH/c1-18-10-12-19(13-11-18)15(20)14-2-4-16(5-3-14)6-8-17-9-7-16;/h14,17H,2-13H2,1H3;1H.
What are the key properties of 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-9-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 66700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).