3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H30N4O3 — CID 70737039

IUPAC3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)C3CCCN3C3CCNCC3)CC2)OC1=O
InChIInChI=1S/C18H30N4O3/c1-20-13-18(25-17(20)24)6-11-21(12-7-18)16(23)15-3-2-10-22(15)14-4-8-19-9-5-14/h14-15,19H,2-13H2,1H3
InChIKeyAYBCONSEHIBYOV-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.65
Rot. Bonds2

About 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70737039) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70737039
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)C3CCCN3C3CCNCC3)CC2)OC1=O
InChIInChI=1S/C18H30N4O3/c1-20-13-18(25-17(20)24)6-11-21(12-7-18)16(23)15-3-2-10-22(15)14-4-8-19-9-5-14/h14-15,19H,2-13H2,1H3
InChIKeyAYBCONSEHIBYOV-UHFFFAOYSA-N
XLogP0.65
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70737039) is 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)C3CCCN3C3CCNCC3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AYBCONSEHIBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20-13-18(25-17(20)24)6-11-21(12-7-18)16(23)15-3-2-10-22(15)14-4-8-19-9-5-14/h14-15,19H,2-13H2,1H3.
What are the key properties of 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 350.46 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70737039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).