5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one

C22H26N2O3 — CID 58199325

IUPAC5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C22H26N2O3/c1-15-19(6-8-21(25)23-15)16-5-7-20-17(13-16)14-26-22(27-20)9-11-24(12-10-22)18-3-2-4-18/h5-8,13,18H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyLPJXJECAXRPNFU-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.60
Rot. Bonds2

About 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one

5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one (PubChem CID 58199325) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one
PubChem CID58199325
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C22H26N2O3/c1-15-19(6-8-21(25)23-15)16-5-7-20-17(13-16)14-26-22(27-20)9-11-24(12-10-22)18-3-2-4-18/h5-8,13,18H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyLPJXJECAXRPNFU-UHFFFAOYSA-N
XLogP3.60
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one (CID 58199325) is 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1-c1ccc2c(c1)COC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one?
The InChIKey is LPJXJECAXRPNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-19(6-8-21(25)23-15)16-5-7-20-17(13-16)14-26-22(27-20)9-11-24(12-10-22)18-3-2-4-18/h5-8,13,18H,2-4,9-12,14H2,1H3,(H,23,25).
What are the key properties of 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one?
5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58199325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).