3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C17H26N2O5S — CID 20937101

IUPAC3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCC(C)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O
InChIInChI=1S/C17H26N2O5S/c1-12-4-8-18(9-5-12)15(20)14-13(2)16(21)24-17(14)6-10-19(11-7-17)25(3,22)23/h12H,4-11H2,1-3H3
InChIKeyBBVRNSKVTZRLLU-UHFFFAOYSA-N
MW370.47 g/mol
LogP0.91
Rot. Bonds2

About 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 20937101) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID20937101
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCC1=C(C(=O)N2CCC(C)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O
InChIInChI=1S/C17H26N2O5S/c1-12-4-8-18(9-5-12)15(20)14-13(2)16(21)24-17(14)6-10-19(11-7-17)25(3,22)23/h12H,4-11H2,1-3H3
InChIKeyBBVRNSKVTZRLLU-UHFFFAOYSA-N
XLogP0.91
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 20937101) is 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CC1=C(C(=O)N2CCC(C)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O.
What is the InChIKey of 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is BBVRNSKVTZRLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12-4-8-18(9-5-12)15(20)14-13(2)16(21)24-17(14)6-10-19(11-7-17)25(3,22)23/h12H,4-11H2,1-3H3.
What are the key properties of 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 370.47 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpiperidine-1-carbonyl)-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 20937101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).