(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone

C20H23N3O2 — CID 134079364

IUPAC(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
SMILESCOC1CCC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-25-18-6-8-20(17-5-3-2-4-16(17)18)9-12-23(13-10-20)19(24)15-7-11-21-22-14-15/h2-5,7,11,14,18H,6,8-10,12-13H2,1H3
InChIKeyKLFQIWSIMRZDFX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.13
Rot. Bonds2

About (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone

(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone (PubChem CID 134079364) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
PubChem CID134079364
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
SMILESCOC1CCC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-25-18-6-8-20(17-5-3-2-4-16(17)18)9-12-23(13-10-20)19(24)15-7-11-21-22-14-15/h2-5,7,11,14,18H,6,8-10,12-13H2,1H3
InChIKeyKLFQIWSIMRZDFX-UHFFFAOYSA-N
XLogP3.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclobutyl)-1-(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethanone
CID 131697083
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 97452679
N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131647919
(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
CID 134073257
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662

Frequently Asked Questions

What is the IUPAC name of (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone (CID 134079364) is (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone is COC1CCC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21.
What is the InChIKey of (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?
The InChIKey is KLFQIWSIMRZDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-6-8-20(17-5-3-2-4-16(17)18)9-12-23(13-10-20)19(24)15-7-11-21-22-14-15/h2-5,7,11,14,18H,6,8-10,12-13H2,1H3.
What are the key properties of (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone?
(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 134079364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).