[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone

C21H25N3O3 — CID 176503159

IUPAC[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(C2CCOC2)cc1)N1CCC2(CC1)OCCc1cn[nH]c12
InChIInChI=1S/C21H25N3O3/c25-20(16-3-1-15(2-4-16)18-5-11-26-14-18)24-9-7-21(8-10-24)19-17(6-12-27-21)13-22-23-19/h1-4,13,18H,5-12,14H2,(H,22,23)
InChIKeyHGTLCNBUJHVKKY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds2

About [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone

[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone (PubChem CID 176503159) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
PubChem CID176503159
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(C2CCOC2)cc1)N1CCC2(CC1)OCCc1cn[nH]c12
InChIInChI=1S/C21H25N3O3/c25-20(16-3-1-15(2-4-16)18-5-11-26-14-18)24-9-7-21(8-10-24)19-17(6-12-27-21)13-22-23-19/h1-4,13,18H,5-12,14H2,(H,22,23)
InChIKeyHGTLCNBUJHVKKY-UHFFFAOYSA-N
XLogP2.62
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone 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-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904
spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 176501357
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-[4-(oxan-4-yl)phenyl]methanone
CID 154785572
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163317492
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
(2-cyclopropylpyrimidin-5-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135101723
6-[4-(oxolan-3-yl)benzoyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 155958325
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
1'-[(3,5-difluorophenyl)methyl]spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]
CID 176506859
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135089217
[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone (CID 176503159) is [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(C2CCOC2)cc1)N1CCC2(CC1)OCCc1cn[nH]c12.
What is the InChIKey of [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is HGTLCNBUJHVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(16-3-1-15(2-4-16)18-5-11-26-14-18)24-9-7-21(8-10-24)19-17(6-12-27-21)13-22-23-19/h1-4,13,18H,5-12,14H2,(H,22,23).
What are the key properties of [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 176503159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).