5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane

C26H36N4 — CID 170200505

IUPAC5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane
SMILESCc1ccc(CC2CN(C)C3(CCC3)CN2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H36N4/c1-21-7-9-22(10-8-21)18-24-19-28(2)26(13-5-14-26)20-30(24)23-11-16-29(17-12-23)25-6-3-4-15-27-25/h3-4,6-10,15,23-24H,5,11-14,16-20H2,1-2H3
InChIKeyMDRQADRSLLYXJD-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.14
Rot. Bonds4

About 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane

5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane (PubChem CID 170200505) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane
PubChem CID170200505
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC Name5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane
SMILESCc1ccc(CC2CN(C)C3(CCC3)CN2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H36N4/c1-21-7-9-22(10-8-21)18-24-19-28(2)26(13-5-14-26)20-30(24)23-11-16-29(17-12-23)25-6-3-4-15-27-25/h3-4,6-10,15,23-24H,5,11-14,16-20H2,1-2H3
InChIKeyMDRQADRSLLYXJD-UHFFFAOYSA-N
XLogP4.14
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane with MolForge

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Related Compounds

(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 168679011
(5S)-5-[(4-chlorophenyl)methyl]-2-cyclopropyl-1-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 170197918
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-propan-2-yl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 168679034
(3S,8aS)-3-[(4-chlorophenyl)methyl]-2-(1-pyridin-2-ylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175938419
[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)piperazin-2-yl]methanol;tetrahydrochloride
CID 169042677
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
5-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 170198288
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane?
The IUPAC name of 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane (CID 170200505) is 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane is Cc1ccc(CC2CN(C)C3(CCC3)CN2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane?
The InChIKey is MDRQADRSLLYXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4/c1-21-7-9-22(10-8-21)18-24-19-28(2)26(13-5-14-26)20-30(24)23-11-16-29(17-12-23)25-6-3-4-15-27-25/h3-4,6-10,15,23-24H,5,11-14,16-20H2,1-2H3.
What are the key properties of 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane?
5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane has a molecular weight of 404.60 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 170200505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).