N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide

C18H33N3O2 — CID 128831037

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide
SMILESCOCC1(CNC(=O)N2CCCC23CCCCC3)CCNCC1
InChIInChI=1S/C18H33N3O2/c1-23-15-17(9-11-19-12-10-17)14-20-16(22)21-13-5-8-18(21)6-3-2-4-7-18/h19H,2-15H2,1H3,(H,20,22)
InChIKeyAWFGOCDIKXCHBA-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.51
Rot. Bonds4

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide (PubChem CID 128831037) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide
PubChem CID128831037
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide
SMILESCOCC1(CNC(=O)N2CCCC23CCCCC3)CCNCC1
InChIInChI=1S/C18H33N3O2/c1-23-15-17(9-11-19-12-10-17)14-20-16(22)21-13-5-8-18(21)6-3-2-4-7-18/h19H,2-15H2,1H3,(H,20,22)
InChIKeyAWFGOCDIKXCHBA-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide (CID 128831037) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide is COCC1(CNC(=O)N2CCCC23CCCCC3)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide?
The InChIKey is AWFGOCDIKXCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-23-15-17(9-11-19-12-10-17)14-20-16(22)21-13-5-8-18(21)6-3-2-4-7-18/h19H,2-15H2,1H3,(H,20,22).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-azaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 128831037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).