1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C18H23N3O — CID 25060565

IUPAC1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3
InChIKeyRIJKMUIRCGMPIS-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.48
Rot. Bonds2

About 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25060565) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25060565
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3
InChIKeyRIJKMUIRCGMPIS-UHFFFAOYSA-N
XLogP2.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060807
1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one
CID 170172777
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
CID 68902320
6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163306429
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxylic acid
CID 169139909
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25060565) is 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is Cn1ncc2c1CCOC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is RIJKMUIRCGMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3.
What are the key properties of 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 297.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25060565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).