1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C18H23NO3 — CID 108734528

IUPAC1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H23NO3/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-11-13(2)5-6-16(14)22-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySVUMHYDZSLEHHV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.12
Rot. Bonds2

About 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734528) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734528
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCCC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H23NO3/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-11-13(2)5-6-16(14)22-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeySVUMHYDZSLEHHV-UHFFFAOYSA-N
XLogP3.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734575
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
6-methyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757875
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 110243490
1'-butanoyl-6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735412
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544

Frequently Asked Questions

What is the IUPAC name of 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734528) is 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CCCC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2.
What is the InChIKey of 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SVUMHYDZSLEHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-4-17(21)19-9-7-18(8-10-19)12-15(20)14-11-13(2)5-6-16(14)22-18/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).