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

C23H28N2O2 — CID 58198913

IUPAC5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H28N2O2/c1-16-13-22(26)24-15-20(16)17-5-6-21-18(14-17)7-8-23(27-21)9-11-25(12-10-23)19-3-2-4-19/h5-6,13-15,19H,2-4,7-12H2,1H3,(H,24,26)
InChIKeyKGOHRILLWRNCRC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.06
Rot. Bonds2

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

5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one (PubChem CID 58198913) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one
PubChem CID58198913
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1-c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C23H28N2O2/c1-16-13-22(26)24-15-20(16)17-5-6-21-18(14-17)7-8-23(27-21)9-11-25(12-10-23)19-3-2-4-19/h5-6,13-15,19H,2-4,7-12H2,1H3,(H,24,26)
InChIKeyKGOHRILLWRNCRC-UHFFFAOYSA-N
XLogP4.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one (CID 58198913) is 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1-c1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one?
The InChIKey is KGOHRILLWRNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-13-22(26)24-15-20(16)17-5-6-21-18(14-17)7-8-23(27-21)9-11-25(12-10-23)19-3-2-4-19/h5-6,13-15,19H,2-4,7-12H2,1H3,(H,24,26).
What are the key properties of 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one?
5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58198913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).