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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Related Compounds

benzoic acid;1'-(1,3-dimethylindazole-6-carbonyl)-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one;ethane
CID 143921233
CID 66782079
CID 66782079
1'-methyl-6-[(2-methylpropan-2-yl)oxy]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 139314084
3-[1-cyclopropyl-6-[6-(1-methylpyrazol-4-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]indol-4-yl]benzoic acid
CID 44621308
methyl 4-[8-cyclopropyl-2-[6-(1-methylpyrazol-4-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]quinolin-4-yl]benzoate
CID 58208703
5-[1'-[3-ethoxy-5-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-2-fluorobenzoic acid
CID 24998399
1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760143
5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
CID 146205456
6-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1'-[3-ethoxy-5-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 66781930
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 58641815
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582

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).