1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide

C24H33N3O3 — CID 142457699

IUPAC1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
SMILESCc1ccc(C)c(OC(C)(C)C)c1.O=CNC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C12H15N3O2.C12H18O/c16-9-14-11-3-7-15(8-4-11)12(17)10-1-5-13-6-2-10;1-9-6-7-10(2)11(8-9)13-12(3,4)5/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,16);6-8H,1-5H3
InChIKeyVXGNAGJXCFHMDD-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.91
Rot. Bonds4

About 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide

1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide (PubChem CID 142457699) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide.

Molecular Properties

Compound Name1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
PubChem CID142457699
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
SMILESCc1ccc(C)c(OC(C)(C)C)c1.O=CNC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C12H15N3O2.C12H18O/c16-9-14-11-3-7-15(8-4-11)12(17)10-1-5-13-6-2-10;1-9-6-7-10(2)11(8-9)13-12(3,4)5/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,16);6-8H,1-5H3
InChIKeyVXGNAGJXCFHMDD-UHFFFAOYSA-N
XLogP3.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
N-[1-(4-cyanophenyl)sulfanylpiperidin-4-yl]formamide;1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 142458092
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide
CID 167447350
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91660684

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide?
The IUPAC name of 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide (CID 142457699) is 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide.
What is the SMILES notation for 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide?
The canonical SMILES for 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide is Cc1ccc(C)c(OC(C)(C)C)c1.O=CNC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide?
The InChIKey is VXGNAGJXCFHMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C12H18O/c16-9-14-11-3-7-15(8-4-11)12(17)10-1-5-13-6-2-10;1-9-6-7-10(2)11(8-9)13-12(3,4)5/h1-2,5-6,9,11H,3-4,7-8H2,(H,14,16);6-8H,1-5H3.
What are the key properties of 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide?
1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide has a molecular weight of 411.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(2-methylpropan-2-yl)oxy]benzene;N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide is sourced from PubChem (CID 142457699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).