azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen

C22H50N10O2 — CID 157258654

IUPACazane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen
SMILESCOc1ccccc1C(=O)NNc1nc(C2CCCCC2)nc(N2CCCCC2)n1.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H30N6O2.4H3N.4H2/c1-30-18-13-7-6-12-17(18)20(29)26-27-21-23-19(16-10-4-2-5-11-16)24-22(25-21)28-14-8-3-9-15-28;;;;;;;;/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,26,29)(H,23,24,25,27);4*1H3;4*1H
InChIKeyVQVNQKSDWNPEAP-UHFFFAOYSA-N
MW486.71 g/mol
LogP5.31
Rot. Bonds6

About azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen

azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen (PubChem CID 157258654) has the molecular formula C22H50N10O2 and a molecular weight of 486.71 g/mol. Its IUPAC name is azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen.

Molecular Properties

Compound Nameazane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen
PubChem CID157258654
Molecular FormulaC22H50N10O2
Molecular Weight486.71 g/mol
Exact Mass486.41
IUPAC Nameazane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen
SMILESCOc1ccccc1C(=O)NNc1nc(C2CCCCC2)nc(N2CCCCC2)n1.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H30N6O2.4H3N.4H2/c1-30-18-13-7-6-12-17(18)20(29)26-27-21-23-19(16-10-4-2-5-11-16)24-22(25-21)28-14-8-3-9-15-28;;;;;;;;/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,26,29)(H,23,24,25,27);4*1H3;4*1H
InChIKeyVQVNQKSDWNPEAP-UHFFFAOYSA-N
XLogP5.31
TPSA232.27 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500486.71
LogP ≤ 55.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen with MolForge

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Related Compounds

3-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58865669
2-methoxy-N-(1-methyl-2-oxoazepan-3-yl)benzamide
CID 53384965
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 50945981
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide
CID 60545434
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608

Frequently Asked Questions

What is the IUPAC name of azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen?
The IUPAC name of azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen (CID 157258654) is azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen.
What is the SMILES notation for azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen?
The canonical SMILES for azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen is COc1ccccc1C(=O)NNc1nc(C2CCCCC2)nc(N2CCCCC2)n1.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen?
The InChIKey is VQVNQKSDWNPEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2.4H3N.4H2/c1-30-18-13-7-6-12-17(18)20(29)26-27-21-23-19(16-10-4-2-5-11-16)24-22(25-21)28-14-8-3-9-15-28;;;;;;;;/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,26,29)(H,23,24,25,27);4*1H3;4*1H.
What are the key properties of azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen?
azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen has a molecular weight of 486.71 g/mol, XLogP of 5.31, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N'-(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-methoxybenzohydrazide;molecular hydrogen is sourced from PubChem (CID 157258654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).