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

C18H32N2O3 — CID 146043492

IUPACmethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1
InChIInChI=1S/C18H32N2O3/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
InChIKeyHEJZPFHGBXKCRC-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.95
Rot. Bonds4

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

methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate (PubChem CID 146043492) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate
PubChem CID146043492
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Namemethyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1
InChIInChI=1S/C18H32N2O3/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
InChIKeyHEJZPFHGBXKCRC-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate (CID 146043492) is methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate is COC(=O)CCC1CCN(C2CCOC3(CCNCC3)C2)CC1.
What is the InChIKey of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate?
The InChIKey is HEJZPFHGBXKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/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.
What are the key properties of methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate?
methyl 3-[1-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperidin-4-yl]propanoate has a molecular weight of 324.47 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 146043492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).