(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C21H28N4O2 — CID 72843067

IUPAC(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2
InChIInChI=1S/C21H28N4O2/c1-3-9-25-10-6-17-19(23-14-22-17)21(25)7-11-24(12-8-21)20(27)16-4-5-18(26)15(2)13-16/h4-5,13-14,26H,3,6-12H2,1-2H3,(H,22,23)
InChIKeyYUIMJCBVPROMOP-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.82
Rot. Bonds3

About (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72843067) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
PubChem CID72843067
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2
InChIInChI=1S/C21H28N4O2/c1-3-9-25-10-6-17-19(23-14-22-17)21(25)7-11-24(12-8-21)20(27)16-4-5-18(26)15(2)13-16/h4-5,13-14,26H,3,6-12H2,1-2H3,(H,22,23)
InChIKeyYUIMJCBVPROMOP-UHFFFAOYSA-N
XLogP2.82
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
CID 72934901
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794
(1-ethyl-5-methylpyrazol-4-yl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72890289
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 72885565
2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72862494
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72934015
imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72940220
(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 72838099
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 72929853
1-[1'-(2,3-dihydro-1-benzofuran-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72841244

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72843067) is (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is YUIMJCBVPROMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-9-25-10-6-17-19(23-14-22-17)21(25)7-11-24(12-8-21)20(27)16-4-5-18(26)15(2)13-16/h4-5,13-14,26H,3,6-12H2,1-2H3,(H,22,23).
What are the key properties of (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72843067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).