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

C18H21N3O2 — CID 143739831

IUPAC1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(-c3cnn(C)c3)ccc1O2
InChIInChI=1S/C18H21N3O2/c1-20-7-5-18(6-8-20)10-16(22)15-9-13(3-4-17(15)23-18)14-11-19-21(2)12-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyJHGDTLVXPBXTTN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.52
Rot. Bonds1

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

1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 143739831) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID143739831
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CC(=O)c1cc(-c3cnn(C)c3)ccc1O2
InChIInChI=1S/C18H21N3O2/c1-20-7-5-18(6-8-20)10-16(22)15-9-13(3-4-17(15)23-18)14-11-19-21(2)12-14/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyJHGDTLVXPBXTTN-UHFFFAOYSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 143739831) is 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1cc(-c3cnn(C)c3)ccc1O2.
What is the InChIKey of 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JHGDTLVXPBXTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-7-5-18(6-8-20)10-16(22)15-9-13(3-4-17(15)23-18)14-11-19-21(2)12-14/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 311.38 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 143739831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).