1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one

C18H25NO3 — CID 139314084

IUPAC1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(OC(C)(C)C)ccc1O2
InChIInChI=1S/C18H25NO3/c1-17(2,3)21-13-5-6-16-14(11-13)15(20)12-18(22-16)7-9-19(4)10-8-18/h5-6,11H,7-10,12H2,1-4H3
InChIKeyPKPYDHYGHSWTAF-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.29
Rot. Bonds1

About 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 139314084) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID139314084
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(OC(C)(C)C)ccc1O2
InChIInChI=1S/C18H25NO3/c1-17(2,3)21-13-5-6-16-14(11-13)15(20)12-18(22-16)7-9-19(4)10-8-18/h5-6,11H,7-10,12H2,1-4H3
InChIKeyPKPYDHYGHSWTAF-UHFFFAOYSA-N
XLogP3.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760143
1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143739831
tert-butyl 4-oxo-6-(2-sulfanylpropan-2-yl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 146175359
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
6-methoxy-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774848
6-tert-butyl-1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759436
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
CID 67071399

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 139314084) is 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1cc(OC(C)(C)C)ccc1O2.
What is the InChIKey of 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PKPYDHYGHSWTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,3)21-13-5-6-16-14(11-13)15(20)12-18(22-16)7-9-19(4)10-8-18/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 303.40 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 139314084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).