cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C22H28N4O2 — CID 72865432

IUPACcyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C22H28N4O2/c27-18-6-4-16(5-7-18)14-25-12-9-22(10-13-25)20-19(23-15-24-20)8-11-26(22)21(28)17-2-1-3-17/h4-7,15,17,27H,1-3,8-14H2,(H,23,24)
InChIKeyNGSYOPMXRQFYOP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.79
Rot. Bonds3

About cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72865432) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72865432
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Namecyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C22H28N4O2/c27-18-6-4-16(5-7-18)14-25-12-9-22(10-13-25)20-19(23-15-24-20)8-11-26(22)21(28)17-2-1-3-17/h4-7,15,17,27H,1-3,8-14H2,(H,23,24)
InChIKeyNGSYOPMXRQFYOP-UHFFFAOYSA-N
XLogP2.79
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72865432) is cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc(O)cc1)CC2.
What is the InChIKey of cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is NGSYOPMXRQFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-18-6-4-16(5-7-18)14-25-12-9-22(10-13-25)20-19(23-15-24-20)8-11-26(22)21(28)17-2-1-3-17/h4-7,15,17,27H,1-3,8-14H2,(H,23,24).
What are the key properties of cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[1'-[(4-hydroxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72865432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).