methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride

C18H34Cl2N2O3 — CID 154920771

IUPACmethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1.Cl.Cl
InChIInChI=1S/C18H32N2O3.2ClH/c1-22-17(21)3-2-15-4-11-20(12-5-15)16-6-13-23-18(14-16)7-9-19-10-8-18;;/h15-16,19H,2-14H2,1H3;2*1H
InChIKeyWNPDUINKZQQRDO-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.80
Rot. Bonds4

About methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride

methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride (PubChem CID 154920771) has the molecular formula C18H34Cl2N2O3 and a molecular weight of 397.39 g/mol. Its IUPAC name is methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride
PubChem CID154920771
Molecular FormulaC18H34Cl2N2O3
Molecular Weight397.39 g/mol
Exact Mass396.19
IUPAC Namemethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1.Cl.Cl
InChIInChI=1S/C18H32N2O3.2ClH/c1-22-17(21)3-2-15-4-11-20(12-5-15)16-6-13-23-18(14-16)7-9-19-10-8-18;;/h15-16,19H,2-14H2,1H3;2*1H
InChIKeyWNPDUINKZQQRDO-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride?
The IUPAC name of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride (CID 154920771) is methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride?
The canonical SMILES for methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride is COC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1.Cl.Cl.
What is the InChIKey of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride?
The InChIKey is WNPDUINKZQQRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3.2ClH/c1-22-17(21)3-2-15-4-11-20(12-5-15)16-6-13-23-18(14-16)7-9-19-10-8-18;;/h15-16,19H,2-14H2,1H3;2*1H.
What are the key properties of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride?
methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate;dihydrochloride is sourced from PubChem (CID 154920771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).