cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C22H28N4O3 — CID 72923482

IUPACcyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1O
InChIInChI=1S/C22H28N4O3/c1-29-19-5-2-15(12-18(19)27)13-25-10-7-22(8-11-25)20-17(23-14-24-20)6-9-26(22)21(28)16-3-4-16/h2,5,12,14,16,27H,3-4,6-11,13H2,1H3,(H,23,24)
InChIKeyCDZRUBRUAFATRV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.41
Rot. Bonds4

About cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 72923482) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID72923482
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Namecyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1O
InChIInChI=1S/C22H28N4O3/c1-29-19-5-2-15(12-18(19)27)13-25-10-7-22(8-11-25)20-17(23-14-24-20)6-9-26(22)21(28)16-3-4-16/h2,5,12,14,16,27H,3-4,6-11,13H2,1H3,(H,23,24)
InChIKeyCDZRUBRUAFATRV-UHFFFAOYSA-N
XLogP2.41
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 72923482) is cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is COc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1O.
What is the InChIKey of cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is CDZRUBRUAFATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-19-5-2-15(12-18(19)27)13-25-10-7-22(8-11-25)20-17(23-14-24-20)6-9-26(22)21(28)16-3-4-16/h2,5,12,14,16,27H,3-4,6-11,13H2,1H3,(H,23,24).
What are the key properties of cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 72923482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).